pyrazol-1-ylcarbamic acid;hydrochloride

C4H6ClN3O2 — CID 156780950

IUPACpyrazol-1-ylcarbamic acid;hydrochloride
SMILESCl.O=C(O)Nn1cccn1
InChIInChI=1S/C4H5N3O2.ClH/c8-4(9)6-7-3-1-2-5-7;/h1-3,6H,(H,8,9);1H
InChIKeyBIWLHHYCWHZQHK-UHFFFAOYSA-N
MW163.56 g/mol
LogP0.53
Rot. Bonds1

About pyrazol-1-ylcarbamic acid;hydrochloride

pyrazol-1-ylcarbamic acid;hydrochloride (PubChem CID 156780950) has the molecular formula C4H6ClN3O2 and a molecular weight of 163.56 g/mol. Its IUPAC name is pyrazol-1-ylcarbamic acid;hydrochloride.

Molecular Properties

Compound Namepyrazol-1-ylcarbamic acid;hydrochloride
PubChem CID156780950
Molecular FormulaC4H6ClN3O2
Molecular Weight163.56 g/mol
Exact Mass163.01
IUPAC Namepyrazol-1-ylcarbamic acid;hydrochloride
SMILESCl.O=C(O)Nn1cccn1
InChIInChI=1S/C4H5N3O2.ClH/c8-4(9)6-7-3-1-2-5-7;/h1-3,6H,(H,8,9);1H
InChIKeyBIWLHHYCWHZQHK-UHFFFAOYSA-N
XLogP0.53
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.56
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze pyrazol-1-ylcarbamic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of pyrazol-1-ylcarbamic acid;hydrochloride?
The IUPAC name of pyrazol-1-ylcarbamic acid;hydrochloride (CID 156780950) is pyrazol-1-ylcarbamic acid;hydrochloride.
What is the SMILES notation for pyrazol-1-ylcarbamic acid;hydrochloride?
The canonical SMILES for pyrazol-1-ylcarbamic acid;hydrochloride is Cl.O=C(O)Nn1cccn1.
What is the InChIKey of pyrazol-1-ylcarbamic acid;hydrochloride?
The InChIKey is BIWLHHYCWHZQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2.ClH/c8-4(9)6-7-3-1-2-5-7;/h1-3,6H,(H,8,9);1H.
What are the key properties of pyrazol-1-ylcarbamic acid;hydrochloride?
pyrazol-1-ylcarbamic acid;hydrochloride has a molecular weight of 163.56 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazol-1-ylcarbamic acid;hydrochloride is sourced from PubChem (CID 156780950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).