(5-methyl-1H-pyrazol-3-yl)carbamic acid

C5H7N3O2 — CID 23091960

IUPAC(5-methyl-1H-pyrazol-3-yl)carbamic acid
SMILESCc1cc(NC(=O)O)n[nH]1
InChIInChI=1S/C5H7N3O2/c1-3-2-4(8-7-3)6-5(9)10/h2H,1H3,(H,9,10)(H2,6,7,8)
InChIKeyFCXCCASVQIATQZ-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.81
Rot. Bonds1

About (5-methyl-1H-pyrazol-3-yl)carbamic acid

(5-methyl-1H-pyrazol-3-yl)carbamic acid (PubChem CID 23091960) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is (5-methyl-1H-pyrazol-3-yl)carbamic acid.

Molecular Properties

Compound Name(5-methyl-1H-pyrazol-3-yl)carbamic acid
PubChem CID23091960
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name(5-methyl-1H-pyrazol-3-yl)carbamic acid
SMILESCc1cc(NC(=O)O)n[nH]1
InChIInChI=1S/C5H7N3O2/c1-3-2-4(8-7-3)6-5(9)10/h2H,1H3,(H,9,10)(H2,6,7,8)
InChIKeyFCXCCASVQIATQZ-UHFFFAOYSA-N
XLogP0.81
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 117099978
N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyacetamide
CID 47148567
N-(5-methyl-1H-pyrazol-3-yl)-3-oxo-3-phenylpropanamide
CID 110463355
2-cyano-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 82668146
2-ethyl-N-(5-methyl-1H-pyrazol-3-yl)butanamide
CID 63820066
N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide
CID 778152
N-(5-methyl-1H-pyrazol-3-yl)cyclooctanecarboxamide
CID 65022914
3-amino-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanamide
CID 64678472
2-N,6-N-bis(5-methyl-1H-pyrazol-3-yl)pyridine-2,6-dicarboxamide
CID 12073846
N-(4-methylphenyl)-N'-(5-methyl-1H-pyrazol-3-yl)oxamide
CID 63820246
3-(4-ethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 47215997
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 55259828

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-pyrazol-3-yl)carbamic acid?
The IUPAC name of (5-methyl-1H-pyrazol-3-yl)carbamic acid (CID 23091960) is (5-methyl-1H-pyrazol-3-yl)carbamic acid.
What is the SMILES notation for (5-methyl-1H-pyrazol-3-yl)carbamic acid?
The canonical SMILES for (5-methyl-1H-pyrazol-3-yl)carbamic acid is Cc1cc(NC(=O)O)n[nH]1.
What is the InChIKey of (5-methyl-1H-pyrazol-3-yl)carbamic acid?
The InChIKey is FCXCCASVQIATQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-3-2-4(8-7-3)6-5(9)10/h2H,1H3,(H,9,10)(H2,6,7,8).
What are the key properties of (5-methyl-1H-pyrazol-3-yl)carbamic acid?
(5-methyl-1H-pyrazol-3-yl)carbamic acid has a molecular weight of 141.13 g/mol, XLogP of 0.81, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-pyrazol-3-yl)carbamic acid is sourced from PubChem (CID 23091960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).