pyrazol-1-ylcarbamic acid

C4H5N3O2 — CID 21327343

IUPACpyrazol-1-ylcarbamic acid
SMILESO=C(O)Nn1cccn1
InChIInChI=1S/C4H5N3O2/c8-4(9)6-7-3-1-2-5-7/h1-3,6H,(H,8,9)
InChIKeyXLUVUXUNJXMCPW-UHFFFAOYSA-N
MW127.10 g/mol
LogP0.10
Rot. Bonds1

About pyrazol-1-ylcarbamic acid

pyrazol-1-ylcarbamic acid (PubChem CID 21327343) has the molecular formula C4H5N3O2 and a molecular weight of 127.10 g/mol. Its IUPAC name is pyrazol-1-ylcarbamic acid.

Molecular Properties

Compound Namepyrazol-1-ylcarbamic acid
PubChem CID21327343
Molecular FormulaC4H5N3O2
Molecular Weight127.10 g/mol
Exact Mass127.04
IUPAC Namepyrazol-1-ylcarbamic acid
SMILESO=C(O)Nn1cccn1
InChIInChI=1S/C4H5N3O2/c8-4(9)6-7-3-1-2-5-7/h1-3,6H,(H,8,9)
InChIKeyXLUVUXUNJXMCPW-UHFFFAOYSA-N
XLogP0.10
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze pyrazol-1-ylcarbamic acid 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?
The IUPAC name of pyrazol-1-ylcarbamic acid (CID 21327343) is pyrazol-1-ylcarbamic acid.
What is the SMILES notation for pyrazol-1-ylcarbamic acid?
The canonical SMILES for pyrazol-1-ylcarbamic acid is O=C(O)Nn1cccn1.
What is the InChIKey of pyrazol-1-ylcarbamic acid?
The InChIKey is XLUVUXUNJXMCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2/c8-4(9)6-7-3-1-2-5-7/h1-3,6H,(H,8,9).
What are the key properties of pyrazol-1-ylcarbamic acid?
pyrazol-1-ylcarbamic acid has a molecular weight of 127.10 g/mol, XLogP of 0.10, 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 is sourced from PubChem (CID 21327343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).