1-(1-cyclobutyl-3-methylpyrazol-4-yl)propan-2-one

C11H16N2O — CID 112712664

IUPAC1-(1-cyclobutyl-3-methylpyrazol-4-yl)propan-2-one
SMILESCC(=O)Cc1cn(C2CCC2)nc1C
InChIInChI=1S/C11H16N2O/c1-8(14)6-10-7-13(12-9(10)2)11-4-3-5-11/h7,11H,3-6H2,1-2H3
InChIKeyPYOBVICPCMJBAY-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.05
Rot. Bonds3

About 1-(1-cyclobutyl-3-methylpyrazol-4-yl)propan-2-one

1-(1-cyclobutyl-3-methylpyrazol-4-yl)propan-2-one (PubChem CID 112712664) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(1-cyclobutyl-3-methylpyrazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-cyclobutyl-3-methylpyrazol-4-yl)propan-2-one
PubChem CID112712664
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-(1-cyclobutyl-3-methylpyrazol-4-yl)propan-2-one
SMILESCC(=O)Cc1cn(C2CCC2)nc1C
InChIInChI=1S/C11H16N2O/c1-8(14)6-10-7-13(12-9(10)2)11-4-3-5-11/h7,11H,3-6H2,1-2H3
InChIKeyPYOBVICPCMJBAY-UHFFFAOYSA-N
XLogP2.05
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-cyclobutyl-3-methylpyrazol-4-yl)acetic acid
CID 112712810
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
N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 171315778
[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
2-methyl-N-[[3-methyl-1-(4-methylcyclohexyl)pyrazol-4-yl]methyl]propan-2-amine
CID 64774281
N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-1,5-dimethylpyrazol-3-amine
CID 122167953
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
[3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanamine
CID 122532995

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclobutyl-3-methylpyrazol-4-yl)propan-2-one?
The IUPAC name of 1-(1-cyclobutyl-3-methylpyrazol-4-yl)propan-2-one (CID 112712664) is 1-(1-cyclobutyl-3-methylpyrazol-4-yl)propan-2-one.
What is the SMILES notation for 1-(1-cyclobutyl-3-methylpyrazol-4-yl)propan-2-one?
The canonical SMILES for 1-(1-cyclobutyl-3-methylpyrazol-4-yl)propan-2-one is CC(=O)Cc1cn(C2CCC2)nc1C.
What is the InChIKey of 1-(1-cyclobutyl-3-methylpyrazol-4-yl)propan-2-one?
The InChIKey is PYOBVICPCMJBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8(14)6-10-7-13(12-9(10)2)11-4-3-5-11/h7,11H,3-6H2,1-2H3.
What are the key properties of 1-(1-cyclobutyl-3-methylpyrazol-4-yl)propan-2-one?
1-(1-cyclobutyl-3-methylpyrazol-4-yl)propan-2-one has a molecular weight of 192.26 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclobutyl-3-methylpyrazol-4-yl)propan-2-one is sourced from PubChem (CID 112712664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).