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

C5H7N3O2 — CID 54323427

IUPAC3-(methylamino)-1H-pyrazole-5-carboxylic acid
SMILESCNc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C5H7N3O2/c1-6-4-2-3(5(9)10)7-8-4/h2H,1H3,(H,9,10)(H2,6,7,8)
InChIKeyAXOGPSKBYJIASJ-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.15
Rot. Bonds2

About 3-(methylamino)-1H-pyrazole-5-carboxylic acid

3-(methylamino)-1H-pyrazole-5-carboxylic acid (PubChem CID 54323427) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 3-(methylamino)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(methylamino)-1H-pyrazole-5-carboxylic acid
PubChem CID54323427
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name3-(methylamino)-1H-pyrazole-5-carboxylic acid
SMILESCNc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C5H7N3O2/c1-6-4-2-3(5(9)10)7-8-4/h2H,1H3,(H,9,10)(H2,6,7,8)
InChIKeyAXOGPSKBYJIASJ-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 3-(methylamino)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(methylamino)-1H-pyrazole-5-carboxylic acid (CID 54323427) is 3-(methylamino)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(methylamino)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(methylamino)-1H-pyrazole-5-carboxylic acid is CNc1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-(methylamino)-1H-pyrazole-5-carboxylic acid?
The InChIKey is AXOGPSKBYJIASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-6-4-2-3(5(9)10)7-8-4/h2H,1H3,(H,9,10)(H2,6,7,8).
What are the key properties of 3-(methylamino)-1H-pyrazole-5-carboxylic acid?
3-(methylamino)-1H-pyrazole-5-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 3-(methylamino)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 54323427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).