3,4-Dimethylpyrazole phosphate

C5H11N2O4PCAS 202842-98-6194.13 g/mol

Open in Covalent MOL file
NHNOPOHOHHO
Phosphate

Properties

Molecular formula
C5H11N2O4P
Molar mass
194.13 g/mol
Exact mass
194.0456 Da
logP
0.10Crippen estimate
Polar surface area
106.4 Ų
H-bond donors / acceptors
4 / 2
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, P501

Identifiers

CAS number
202842-98-6
SMILES
Cc1c[nH]nc1C.O=P(O)(O)O
InChIKey
LXKCHCXZBPLTAE-UHFFFAOYSA-N
InChI
InChI=1S/C5H8N2.H3O4P/c1-4-3-6-7-5(4)2;1-5(2,3)4/h3H,1-2H3,(H,6,7);(H3,1,2,3,4)

Weigh it out

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

Names and synonyms

6 names
  • 1H-Pyrazole, 3,4-dimethyl-, phosphate (1:1)
  • Entec
  • DMPP
  • DMPP (nitrification inhibitor)
  • 3,4-Dimethyl-1H-pyrazole phosphate
  • 3,4-Dimethyl-1H-pyrazolium dihydrogen phosphate

Work with 3,4-Dimethylpyrazole phosphate

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.

3,4-Dimethylpyrazole2820-37-3Free base

Similar compounds

4-Bromo-3-methyl-1H-pyrazole13808-64-538 % similar 3-Methyl-4-nitro-1H-pyrazole5334-39-436 % similar Phosphoric acid7664-38-233 % similar Melamine phosphate20208-95-132 % similar Ethyl 3-methylpyrazole-4-carboxylate85290-78-432 % similar 3-Methyl-1H-pyrazole-4-boronic acid pinacol ester936250-20-331 % similar Ammonium phosphate10361-65-630 % similar Zirconium phosphate (Zr(HPO4)2)13772-29-730 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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