N-(4-Piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide hcl

C16H18Cl3N5O2CAS 902135-91-5418.70 g/mol

Open in Covalent MOL file
NHHNONNHNHOClClHCl
AmideAryl halideSecondary amine

Properties

Molecular formula
C16H18Cl3N5O2
Molar mass
418.70 g/mol
Exact mass
417.0526 Da
logP
2.87Crippen estimate
Polar surface area
98.9 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
902135-91-5
SMILES
C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl.Cl
InChIKey
PAOFPNGYBWGKCO-UHFFFAOYSA-N
InChI
InChI=1S/C16H17Cl2N5O2.ClH/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9;/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24);1H

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Names and synonyms

1 name
  • 4-(2,6-Dichlorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide hydrochloride

Work with N-(4-Piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide hcl

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-[(2,6-Dichlorobenzoyl)amino]-N-4-piperidinyl-1H-pyrazole-3-carboxamide844442-38-2Free base

Similar compounds

N-4-Piperidylbenzamide33953-37-640 % similar Tecloftalam76280-91-631 % similar 4-(4-Chlorobenzoyl)piperidine hydrochloride55695-51-731 % similar S-3-Cbz-amino pyrrolidine-hcl1217631-74-730 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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