2-(1-cyclobutyl-3-methylpyrazol-4-yl)acetic acid

C10H14N2O2 — CID 112712810

IUPAC2-(1-cyclobutyl-3-methylpyrazol-4-yl)acetic acid
SMILESCc1nn(C2CCC2)cc1CC(=O)O
InChIInChI=1S/C10H14N2O2/c1-7-8(5-10(13)14)6-12(11-7)9-3-2-4-9/h6,9H,2-5H2,1H3,(H,13,14)
InChIKeyGZFJEZQCOITIMV-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.54
Rot. Bonds3

About 2-(1-cyclobutyl-3-methylpyrazol-4-yl)acetic acid

2-(1-cyclobutyl-3-methylpyrazol-4-yl)acetic acid (PubChem CID 112712810) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(1-cyclobutyl-3-methylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1-cyclobutyl-3-methylpyrazol-4-yl)acetic acid
PubChem CID112712810
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(1-cyclobutyl-3-methylpyrazol-4-yl)acetic acid
SMILESCc1nn(C2CCC2)cc1CC(=O)O
InChIInChI=1S/C10H14N2O2/c1-7-8(5-10(13)14)6-12(11-7)9-3-2-4-9/h6,9H,2-5H2,1H3,(H,13,14)
InChIKeyGZFJEZQCOITIMV-UHFFFAOYSA-N
XLogP1.54
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclobutyl-3-methylpyrazol-4-yl)propan-2-one
CID 112712664
2-(1-cyclopentyl-3-methylpyrazol-4-yl)ethanamine
CID 83878558
2-[(1-cyclopentyl-3-methylpyrazol-4-yl)methylamino]ethanol
CID 122166396
1-cyclohexyl-3-methylpyrazole-4-carbonyl chloride
CID 83814232
[3-methyl-1-(4-methylcyclohexyl)pyrazol-4-yl]methanesulfonamide
CID 165484245
N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-1,4-dimethylpyrazol-3-amine;hydrochloride
CID 132585916
N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 171315778
N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-1,5-dimethylpyrazol-3-amine
CID 122167953
3-methyl-1-[(3S)-piperidin-3-yl]pyrazole-4-carboxylic acid
CID 124510052
2-(1-cyclopentyl-5-methylpyrazol-4-yl)acetic acid
CID 83883737
5-[2-(1-cyclopentyl-3-methylpyrazol-4-yl)ethyl]-1H-1,2,4-triazol-3-amine
CID 159096028
1-[(1-cyclobutyl-3-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-1,4-benzodiazepin-5-one
CID 166277344

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclobutyl-3-methylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-(1-cyclobutyl-3-methylpyrazol-4-yl)acetic acid (CID 112712810) is 2-(1-cyclobutyl-3-methylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(1-cyclobutyl-3-methylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(1-cyclobutyl-3-methylpyrazol-4-yl)acetic acid is Cc1nn(C2CCC2)cc1CC(=O)O.
What is the InChIKey of 2-(1-cyclobutyl-3-methylpyrazol-4-yl)acetic acid?
The InChIKey is GZFJEZQCOITIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-8(5-10(13)14)6-12(11-7)9-3-2-4-9/h6,9H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-(1-cyclobutyl-3-methylpyrazol-4-yl)acetic acid?
2-(1-cyclobutyl-3-methylpyrazol-4-yl)acetic acid has a molecular weight of 194.23 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclobutyl-3-methylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 112712810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).