2-(1-methylpyrazol-4-yl)cyclobutane-1-carboxylic acid

C9H12N2O2 — CID 81009464

IUPAC2-(1-methylpyrazol-4-yl)cyclobutane-1-carboxylic acid
SMILESCn1cc(C2CCC2C(=O)O)cn1
InChIInChI=1S/C9H12N2O2/c1-11-5-6(4-10-11)7-2-3-8(7)9(12)13/h4-5,7-8H,2-3H2,1H3,(H,12,13)
InChIKeyCNISLKSJNXMMIY-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.00
Rot. Bonds2

About 2-(1-methylpyrazol-4-yl)cyclobutane-1-carboxylic acid

2-(1-methylpyrazol-4-yl)cyclobutane-1-carboxylic acid (PubChem CID 81009464) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)cyclobutane-1-carboxylic acid
PubChem CID81009464
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(1-methylpyrazol-4-yl)cyclobutane-1-carboxylic acid
SMILESCn1cc(C2CCC2C(=O)O)cn1
InChIInChI=1S/C9H12N2O2/c1-11-5-6(4-10-11)7-2-3-8(7)9(12)13/h4-5,7-8H,2-3H2,1H3,(H,12,13)
InChIKeyCNISLKSJNXMMIY-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

2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81020421
2-(1-propylpyrazol-4-yl)cyclobutane-1-carboxylic acid
CID 81008575
2-methyl-1-[2-(1-methylpyrazol-4-yl)cyclopropyl]propan-1-one
CID 139468604
N-(2,6-dimethylcyclohexyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 71935713
(4-cyclopentylpiperazin-1-yl)-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95590738
(4-cyclopentylpiperazin-1-yl)-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95590740
(3S,4S)-1-benzyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxylic acid
CID 124833087
(3R,4S)-N-(2-methylcyclopropyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120925495
trans-(1R,2R)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95590711
[(2R)-4-methyl-2-phenylpiperazin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 124743790
(3R,4S)-N-(3-methylcyclobutyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120933475
[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanol
CID 95004048

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(1-methylpyrazol-4-yl)cyclobutane-1-carboxylic acid (CID 81009464) is 2-(1-methylpyrazol-4-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)cyclobutane-1-carboxylic acid is Cn1cc(C2CCC2C(=O)O)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)cyclobutane-1-carboxylic acid?
The InChIKey is CNISLKSJNXMMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11-5-6(4-10-11)7-2-3-8(7)9(12)13/h4-5,7-8H,2-3H2,1H3,(H,12,13).
What are the key properties of 2-(1-methylpyrazol-4-yl)cyclobutane-1-carboxylic acid?
2-(1-methylpyrazol-4-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-4-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81009464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).