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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 178719311Generated: October 23, 2026

3-Isocyanato-1,5-dimethyl-1H-pyrazole

3-ISOCYANATO-1,5-DIMETHYL-1H-PYRAZOLE · 1H-Pyrazole, 3-isocyanato-1,5-dimethyl-

https://huagongshe.com/en/chemical/178719311

3-Isocyanato-1,5-dimethyl-1H-pyrazole molecular structure

Identifiers & Physical Properties

CAS No.1378585-57-9
Molecular formulaC6H7N3O
Average molar mass137.14 g/mol
SMILESCc1cc(N=C=O)nn1C
InChIKeySPTWKMQWTRDQJD-UHFFFAOYSA-N

Chemical & Physical Properties

XLogP1.8
Topological polar surface area47.3
Hydrogen bond donors0
Hydrogen bond acceptors3
Rotatable bonds1
Heavy atoms10
Formal charge0
Complexity164
Boiling point227.1±20.0 °C(Predicted)
Density1.18±0.1 g/cm3(Predicted)
pKa (acidity coefficient)0.91±0.10(Predicted)