2-(1-methylpyrazol-3-yl)cyclobutane-1-carboxylic acid

C9H12N2O2 — CID 103132395

IUPAC2-(1-methylpyrazol-3-yl)cyclobutane-1-carboxylic acid
SMILESCn1ccc(C2CCC2C(=O)O)n1
InChIInChI=1S/C9H12N2O2/c1-11-5-4-8(10-11)6-2-3-7(6)9(12)13/h4-7H,2-3H2,1H3,(H,12,13)
InChIKeyFPTKWVIECRWMHW-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.00
Rot. Bonds2

About 2-(1-methylpyrazol-3-yl)cyclobutane-1-carboxylic acid

2-(1-methylpyrazol-3-yl)cyclobutane-1-carboxylic acid (PubChem CID 103132395) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)cyclobutane-1-carboxylic acid
PubChem CID103132395
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(1-methylpyrazol-3-yl)cyclobutane-1-carboxylic acid
SMILESCn1ccc(C2CCC2C(=O)O)n1
InChIInChI=1S/C9H12N2O2/c1-11-5-4-8(10-11)6-2-3-7(6)9(12)13/h4-7H,2-3H2,1H3,(H,12,13)
InChIKeyFPTKWVIECRWMHW-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

rac-(1R,2R)-2-(1-methyl-1H-pyrazol-5-yl)cyclopropane-1-carboxylic acid
CID 124602659
2-(1-methyl-1H-pyrazol-3-yl)cyclopropane-1-carboxylic acid
CID 129321797
3-(1-methyl-1H-pyrazol-3-yl)propanoic acid
CID 19622629
3-(1-methyl-1H-pyrazol-5-yl)propanoic acid
CID 19622632
3-(1,3-dimethyl-1H-pyrazol-5-yl)propanoic acid
CID 65876516
1-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 77230337
1-methyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
CID 82409133
4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-5-carboxylic acid
CID 83680740
2-methyl-4,5,6,7-tetrahydro-2H-indazole-4-carboxylic acid
CID 83906436
rac-(1R,2R)-2-[1-(propan-2-yl)-1H-pyrazol-5-yl]cyclopropane-1-carboxylic acid
CID 124745805
(2S)-4-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentanoic acid
CID 124510723
2-(1-Methylpyrazol-3-yl)cyclopropane-1-carboxylic acid
CID 126855068

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(1-methylpyrazol-3-yl)cyclobutane-1-carboxylic acid (CID 103132395) is 2-(1-methylpyrazol-3-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)cyclobutane-1-carboxylic acid is Cn1ccc(C2CCC2C(=O)O)n1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)cyclobutane-1-carboxylic acid?
The InChIKey is FPTKWVIECRWMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11-5-4-8(10-11)6-2-3-7(6)9(12)13/h4-7H,2-3H2,1H3,(H,12,13).
What are the key properties of 2-(1-methylpyrazol-3-yl)cyclobutane-1-carboxylic acid?
2-(1-methylpyrazol-3-yl)cyclobutane-1-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 103132395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).