1-[1-(2-methylpropyl)cyclopentyl]-3-(2-methylpyrazol-3-yl)propan-1-one

C16H26N2O — CID 103024227

IUPAC1-[1-(2-methylpropyl)cyclopentyl]-3-(2-methylpyrazol-3-yl)propan-1-one
SMILESCC(C)CC1(C(=O)CCc2ccnn2C)CCCC1
InChIInChI=1S/C16H26N2O/c1-13(2)12-16(9-4-5-10-16)15(19)7-6-14-8-11-17-18(14)3/h8,11,13H,4-7,9-10,12H2,1-3H3
InChIKeyIJBCWQMMYSNXIG-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.53
Rot. Bonds6

About 1-[1-(2-methylpropyl)cyclopentyl]-3-(2-methylpyrazol-3-yl)propan-1-one

1-[1-(2-methylpropyl)cyclopentyl]-3-(2-methylpyrazol-3-yl)propan-1-one (PubChem CID 103024227) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)cyclopentyl]-3-(2-methylpyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)cyclopentyl]-3-(2-methylpyrazol-3-yl)propan-1-one
PubChem CID103024227
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[1-(2-methylpropyl)cyclopentyl]-3-(2-methylpyrazol-3-yl)propan-1-one
SMILESCC(C)CC1(C(=O)CCc2ccnn2C)CCCC1
InChIInChI=1S/C16H26N2O/c1-13(2)12-16(9-4-5-10-16)15(19)7-6-14-8-11-17-18(14)3/h8,11,13H,4-7,9-10,12H2,1-3H3
InChIKeyIJBCWQMMYSNXIG-UHFFFAOYSA-N
XLogP3.53
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

rac-(1R,2R)-2-(1-methyl-1H-pyrazol-5-yl)cyclopropane-1-carbaldehyde
CID 132351030
3-(2-Methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-one
CID 103024362
3-(2-Methylpyrazol-3-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-one
CID 103024366
1-(4,4-Difluorocyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103024404
4,4-Dimethyl-1-(1-methyl-1h-pyrazol-3-yl)pentan-1-one
CID 10607869
5-(3,3-Dimethylcyclopentyl)-1-methylpyrazole
CID 134224467
5-(3,3-Dimethylcyclohexyl)-1-methylpyrazole
CID 134224541
2-[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]-1-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone
CID 132373791
4-[2-(2,2,2-Trifluoroethyl)pyrazol-3-yl]butan-2-one
CID 146261021
4-Methyl-1-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pentan-3-one
CID 146261650
1-[2-(2,2,2-Trifluoroethyl)pyrazol-3-yl]pentan-3-one
CID 155224835
2-[1-(1,1-Difluoroethyl)pyrazol-3-yl]-5-(dimethylaminomethylidene)-2-methylcyclopentan-1-one
CID 170741104

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)cyclopentyl]-3-(2-methylpyrazol-3-yl)propan-1-one?
The IUPAC name of 1-[1-(2-methylpropyl)cyclopentyl]-3-(2-methylpyrazol-3-yl)propan-1-one (CID 103024227) is 1-[1-(2-methylpropyl)cyclopentyl]-3-(2-methylpyrazol-3-yl)propan-1-one.
What is the SMILES notation for 1-[1-(2-methylpropyl)cyclopentyl]-3-(2-methylpyrazol-3-yl)propan-1-one?
The canonical SMILES for 1-[1-(2-methylpropyl)cyclopentyl]-3-(2-methylpyrazol-3-yl)propan-1-one is CC(C)CC1(C(=O)CCc2ccnn2C)CCCC1.
What is the InChIKey of 1-[1-(2-methylpropyl)cyclopentyl]-3-(2-methylpyrazol-3-yl)propan-1-one?
The InChIKey is IJBCWQMMYSNXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(2)12-16(9-4-5-10-16)15(19)7-6-14-8-11-17-18(14)3/h8,11,13H,4-7,9-10,12H2,1-3H3.
What are the key properties of 1-[1-(2-methylpropyl)cyclopentyl]-3-(2-methylpyrazol-3-yl)propan-1-one?
1-[1-(2-methylpropyl)cyclopentyl]-3-(2-methylpyrazol-3-yl)propan-1-one has a molecular weight of 262.40 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropyl)cyclopentyl]-3-(2-methylpyrazol-3-yl)propan-1-one is sourced from PubChem (CID 103024227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).