1-methyl-5-(1-methylcyclopropyl)pyrazole-4-carboxylic acid

C9H12N2O2 — CID 146457308

IUPAC1-methyl-5-(1-methylcyclopropyl)pyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1C1(C)CC1
InChIInChI=1S/C9H12N2O2/c1-9(3-4-9)7-6(8(12)13)5-10-11(7)2/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyZVIIANILDHSPSC-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.17
Rot. Bonds2

About 1-methyl-5-(1-methylcyclopropyl)pyrazole-4-carboxylic acid

1-methyl-5-(1-methylcyclopropyl)pyrazole-4-carboxylic acid (PubChem CID 146457308) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-methyl-5-(1-methylcyclopropyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-(1-methylcyclopropyl)pyrazole-4-carboxylic acid
PubChem CID146457308
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-methyl-5-(1-methylcyclopropyl)pyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1C1(C)CC1
InChIInChI=1S/C9H12N2O2/c1-9(3-4-9)7-6(8(12)13)5-10-11(7)2/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyZVIIANILDHSPSC-UHFFFAOYSA-N
XLogP1.17
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,5-dioxopyrrol-1-yl)-1-methylpyrazole-4-carboxylic acid
CID 24700543
1-methyl-5-pyrazol-1-ylpyrazole-4-carboxylic acid
CID 58972849
5-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methylpyrazole-4-carboxylic acid
CID 69158990
1-methylpyrazole-4,5-dicarboxylic acid
CID 19623309
5-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-1-methylpyrazole-4-carboxylic acid
CID 24711422
1-methyl-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pyrazole-4-carboxylic acid
CID 54905266
5-(1-methylcyclopropyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazole-4-carboxylic acid
CID 67434544
1-methyl-5-[[(1-methylcyclopentyl)amino]methyl]pyrazole-4-carboxylic acid
CID 116630924
5-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-1-methylpyrazole-4-carboxylic acid
CID 103356638
5-formyl-1-methylpyrazole-4-carboxylic acid
CID 82416715
1-methyl-5-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyrazole-4-carboxylic acid
CID 116632467
5-ethyl-1-methylpyrazole-4-carboxylic acid;hydrochloride
CID 54594161

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(1-methylcyclopropyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-5-(1-methylcyclopropyl)pyrazole-4-carboxylic acid (CID 146457308) is 1-methyl-5-(1-methylcyclopropyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5-(1-methylcyclopropyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-5-(1-methylcyclopropyl)pyrazole-4-carboxylic acid is Cn1ncc(C(=O)O)c1C1(C)CC1.
What is the InChIKey of 1-methyl-5-(1-methylcyclopropyl)pyrazole-4-carboxylic acid?
The InChIKey is ZVIIANILDHSPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-9(3-4-9)7-6(8(12)13)5-10-11(7)2/h5H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 1-methyl-5-(1-methylcyclopropyl)pyrazole-4-carboxylic acid?
1-methyl-5-(1-methylcyclopropyl)pyrazole-4-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(1-methylcyclopropyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 146457308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).