3-(cyclopropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid

C9H11N3O3 — CID 15679514

IUPAC3-(cyclopropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
SMILESCn1cc(C(=O)O)c(C(=O)NC2CC2)n1
InChIInChI=1S/C9H11N3O3/c1-12-4-6(9(14)15)7(11-12)8(13)10-5-2-3-5/h4-5H,2-3H2,1H3,(H,10,13)(H,14,15)
InChIKeyQVLADRSZKQRKAR-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.01
Rot. Bonds3

About 3-(cyclopropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid

3-(cyclopropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid (PubChem CID 15679514) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 3-(cyclopropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(cyclopropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
PubChem CID15679514
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name3-(cyclopropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
SMILESCn1cc(C(=O)O)c(C(=O)NC2CC2)n1
InChIInChI=1S/C9H11N3O3/c1-12-4-6(9(14)15)7(11-12)8(13)10-5-2-3-5/h4-5H,2-3H2,1H3,(H,10,13)(H,14,15)
InChIKeyQVLADRSZKQRKAR-UHFFFAOYSA-N
XLogP0.01
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(hydrazinecarbonyl)-1-methylpyrazole-4-carboxylic acid
CID 25252406
1-methyl-3-[(1-methylpiperidin-1-ium-4-yl)carbamoyl]pyrazole-4-carboxylate
CID 28847813
4-amino-N-(4-hydroxycyclohexyl)-1-methylpyrazole-3-carboxamide
CID 65354699
1-methyl-3-(octadecylcarbamoyl)pyrazole-4-carboxylic acid
CID 19496514
4-chloro-N-cyclopentyl-1-methylpyrazole-3-carboxamide
CID 891856
3-(3-ethoxypropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 19623940
4-amino-N-(4-methoxycyclohexyl)-1-methylpyrazole-3-carboxamide
CID 59733437
3-(1-adamantylmethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 19498248
3-carbamoyl-1-methylpyrazole-4-carboxylic acid
CID 19623313
4-[(2-chloroacetyl)amino]-N-cyclobutyl-1-methylpyrazole-3-carboxamide
CID 154848802
4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-methylpyrazole-3-carboxamide
CID 65354922
cis-(1R,3S)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320903

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 3-(cyclopropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid (CID 15679514) is 3-(cyclopropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(cyclopropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-(cyclopropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid is Cn1cc(C(=O)O)c(C(=O)NC2CC2)n1.
What is the InChIKey of 3-(cyclopropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid?
The InChIKey is QVLADRSZKQRKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-12-4-6(9(14)15)7(11-12)8(13)10-5-2-3-5/h4-5H,2-3H2,1H3,(H,10,13)(H,14,15).
What are the key properties of 3-(cyclopropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid?
3-(cyclopropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 15679514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).