1-amino-5-methylpyrazole-3-carboxylic acid

C5H7N3O2 — CID 22099274

IUPAC1-amino-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1N
InChIInChI=1S/C5H7N3O2/c1-3-2-4(5(9)10)7-8(3)6/h2H,6H2,1H3,(H,9,10)
InChIKeyVMHWYAUKEHOZNO-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.40
Rot. Bonds1

About 1-amino-5-methylpyrazole-3-carboxylic acid

1-amino-5-methylpyrazole-3-carboxylic acid (PubChem CID 22099274) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 1-amino-5-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-amino-5-methylpyrazole-3-carboxylic acid
PubChem CID22099274
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name1-amino-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1N
InChIInChI=1S/C5H7N3O2/c1-3-2-4(5(9)10)7-8(3)6/h2H,6H2,1H3,(H,9,10)
InChIKeyVMHWYAUKEHOZNO-UHFFFAOYSA-N
XLogP-0.40
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-dimethylpyrazole-3-carboxylic acid;iridium
CID 59657074
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
1-(2,6-dimethylphenyl)-5-methylpyrazole-3-carboxylic acid
CID 82081789
5-methyl-1-(2,3,5,6-tetrafluorophenyl)pyrazole-3-carboxylic acid
CID 107645273
1-(4-bromo-3,5-dimethylphenyl)-5-methylpyrazole-3-carboxylic acid
CID 107575693
1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylic acid
CID 90351295
5-methyl-1-(3-methylphenyl)pyrazole-3-carboxylic acid
CID 22831928
1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxylic acid
CID 71757852
1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxylic acid
CID 134397701
5-methyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole-3-carboxylic acid
CID 102514136
3-methylpyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid
CID 95732990
1-(2,4-dibromophenyl)-5-methylpyrazole-3-carboxylic acid
CID 105421500

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-methylpyrazole-3-carboxylic acid?
The IUPAC name of 1-amino-5-methylpyrazole-3-carboxylic acid (CID 22099274) is 1-amino-5-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-amino-5-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-amino-5-methylpyrazole-3-carboxylic acid is Cc1cc(C(=O)O)nn1N.
What is the InChIKey of 1-amino-5-methylpyrazole-3-carboxylic acid?
The InChIKey is VMHWYAUKEHOZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-3-2-4(5(9)10)7-8(3)6/h2H,6H2,1H3,(H,9,10).
What are the key properties of 1-amino-5-methylpyrazole-3-carboxylic acid?
1-amino-5-methylpyrazole-3-carboxylic acid has a molecular weight of 141.13 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 22099274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).