5-(methylamino)-1H-pyrazole-4-carboxylic acid

C5H7N3O2 — CID 20699534

IUPAC5-(methylamino)-1H-pyrazole-4-carboxylic acid
SMILESCNc1[nH]ncc1C(=O)O
InChIInChI=1S/C5H7N3O2/c1-6-4-3(5(9)10)2-7-8-4/h2H,1H3,(H,9,10)(H2,6,7,8)
InChIKeyLFLYZUSEMFEFHM-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.15
Rot. Bonds2

About 5-(methylamino)-1H-pyrazole-4-carboxylic acid

5-(methylamino)-1H-pyrazole-4-carboxylic acid (PubChem CID 20699534) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 5-(methylamino)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(methylamino)-1H-pyrazole-4-carboxylic acid
PubChem CID20699534
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name5-(methylamino)-1H-pyrazole-4-carboxylic acid
SMILESCNc1[nH]ncc1C(=O)O
InChIInChI=1S/C5H7N3O2/c1-6-4-3(5(9)10)2-7-8-4/h2H,1H3,(H,9,10)(H2,6,7,8)
InChIKeyLFLYZUSEMFEFHM-UHFFFAOYSA-N
XLogP0.15
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(methylamino)-1H-pyrazole-4-carboxylic acid (CID 20699534) is 5-(methylamino)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(methylamino)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(methylamino)-1H-pyrazole-4-carboxylic acid is CNc1[nH]ncc1C(=O)O.
What is the InChIKey of 5-(methylamino)-1H-pyrazole-4-carboxylic acid?
The InChIKey is LFLYZUSEMFEFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-6-4-3(5(9)10)2-7-8-4/h2H,1H3,(H,9,10)(H2,6,7,8).
What are the key properties of 5-(methylamino)-1H-pyrazole-4-carboxylic acid?
5-(methylamino)-1H-pyrazole-4-carboxylic acid has a molecular weight of 141.13 g/mol, XLogP of 0.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 20699534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).