(5-methyl-1H-pyrazol-4-yl)methylcarbamic acid

C6H9N3O2 — CID 123706957

IUPAC(5-methyl-1H-pyrazol-4-yl)methylcarbamic acid
SMILESCc1[nH]ncc1CNC(=O)O
InChIInChI=1S/C6H9N3O2/c1-4-5(3-8-9-4)2-7-6(10)11/h3,7H,2H2,1H3,(H,8,9)(H,10,11)
InChIKeyFPDARULWYWLWJW-UHFFFAOYSA-N
MW155.16 g/mol
LogP0.49
Rot. Bonds2

About (5-methyl-1H-pyrazol-4-yl)methylcarbamic acid

(5-methyl-1H-pyrazol-4-yl)methylcarbamic acid (PubChem CID 123706957) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is (5-methyl-1H-pyrazol-4-yl)methylcarbamic acid.

Molecular Properties

Compound Name(5-methyl-1H-pyrazol-4-yl)methylcarbamic acid
PubChem CID123706957
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name(5-methyl-1H-pyrazol-4-yl)methylcarbamic acid
SMILESCc1[nH]ncc1CNC(=O)O
InChIInChI=1S/C6H9N3O2/c1-4-5(3-8-9-4)2-7-6(10)11/h3,7H,2H2,1H3,(H,8,9)(H,10,11)
InChIKeyFPDARULWYWLWJW-UHFFFAOYSA-N
XLogP0.49
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (5-methyl-1H-pyrazol-4-yl)methylcarbamic 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 (5-methyl-1H-pyrazol-4-yl)methylcarbamic acid?
The IUPAC name of (5-methyl-1H-pyrazol-4-yl)methylcarbamic acid (CID 123706957) is (5-methyl-1H-pyrazol-4-yl)methylcarbamic acid.
What is the SMILES notation for (5-methyl-1H-pyrazol-4-yl)methylcarbamic acid?
The canonical SMILES for (5-methyl-1H-pyrazol-4-yl)methylcarbamic acid is Cc1[nH]ncc1CNC(=O)O.
What is the InChIKey of (5-methyl-1H-pyrazol-4-yl)methylcarbamic acid?
The InChIKey is FPDARULWYWLWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-4-5(3-8-9-4)2-7-6(10)11/h3,7H,2H2,1H3,(H,8,9)(H,10,11).
What are the key properties of (5-methyl-1H-pyrazol-4-yl)methylcarbamic acid?
(5-methyl-1H-pyrazol-4-yl)methylcarbamic acid has a molecular weight of 155.16 g/mol, XLogP of 0.49, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-pyrazol-4-yl)methylcarbamic acid is sourced from PubChem (CID 123706957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).