3-(2-Thienyl)-1H-pyrazole

C₇H₆N₂SCAS 19933-24-5150.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₆N₂S
Molar mass: 150.20 g/mol
Exact mass: 150.0252 Da
Melting point: 98–99 °C
Boiling point: 120–124 °C (at 10 Torr)
logP: 2.14Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

19933-24-5

SMILES

c1csc(-c2cc[nH]n2)c1

InChIKey

TVNDPZYOQCCHTJ-UHFFFAOYSA-N

InChI

InChI=1S/C7H6N2S/c1-2-7(10-5-1)6-3-4-8-9-6/h1-5H,(H,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

1H-Pyrazole, 3-(2-thienyl)-
3-(2-Thienyl)pyrazole
3-Thiophen-2-yl-1H-pyrazole
5-(2-Thienyl)pyrazole

Work with 3-(2-Thienyl)-1H-pyrazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2′-Bithiophene492-97-748 % similar 2-(2-Thienyl)pyridine3319-99-147 % similar 3-Phenylpyrazole2458-26-647 % similar 4-Thiophen-2-yl-thiazol-2-ylamine28989-50-643 % similar Terthiophene1081-34-141 % similar Alpha-quinquethiophene5660-45-741 % similar Alpha-sexithiophene88493-55-441 % similar 5-Thien-2-yl-1H-pyrazol-3-amine96799-03-041 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Benzothiazol-5-amine1123-93-9 2-Aminobenzothiazole136-95-8 4-Isothiocyanatobenzenamine15191-25-0 [(4-Aminophenyl)sulfanyl]formonitrile2987-46-4 6-Benzothiazolamine533-30-2 Mercaptobenzimidazole583-39-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook