(3S)-3-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-one

C11H16N2O — CID 97049169

IUPAC(3S)-3-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-one
SMILESCc1cc(C)n([C@H]2CCCC(=O)C2)n1
InChIInChI=1S/C11H16N2O/c1-8-6-9(2)13(12-8)10-4-3-5-11(14)7-10/h6,10H,3-5,7H2,1-2H3/t10-/m0/s1
InChIKeyFFJYYHAGVPESMC-JTQLQIEISA-N
MW192.26 g/mol
LogP2.18
Rot. Bonds1

About (3S)-3-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-one

(3S)-3-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-one (PubChem CID 97049169) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (3S)-3-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-one.

Molecular Properties

Compound Name(3S)-3-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-one
PubChem CID97049169
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(3S)-3-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-one
SMILESCc1cc(C)n([C@H]2CCCC(=O)C2)n1
InChIInChI=1S/C11H16N2O/c1-8-6-9(2)13(12-8)10-4-3-5-11(14)7-10/h6,10H,3-5,7H2,1-2H3/t10-/m0/s1
InChIKeyFFJYYHAGVPESMC-JTQLQIEISA-N
XLogP2.18
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-one
CID 97049168
6-methyl-3-(3-oxocyclohexyl)pyrimidin-4-one
CID 126857543
3-(3,5-dimethylpyrazol-1-yl)piperidine
CID 54592912
3-(1,2,4-triazol-1-yl)cyclohexan-1-one
CID 79618100
5-bromo-1-cyclohexyl-3-methylpyrazole
CID 82386636
3,6-bis(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazinane
CID 146559480
6-cyclopropyl-2-methyl-3-(3-oxocyclohexyl)pyrimidin-4-one
CID 126857748
3,5-dimethyl-1-[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]pyrazole
CID 163839077
2-cyclopentyl-5-methylpyrazol-3-amine
CID 3152524
[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95354154
3-(3,5-dimethylpyrazol-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile
CID 79625900
1-[(2S)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 95340542

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-one?
The IUPAC name of (3S)-3-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-one (CID 97049169) is (3S)-3-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-one.
What is the SMILES notation for (3S)-3-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-one?
The canonical SMILES for (3S)-3-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-one is Cc1cc(C)n([C@H]2CCCC(=O)C2)n1.
What is the InChIKey of (3S)-3-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-one?
The InChIKey is FFJYYHAGVPESMC-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-6-9(2)13(12-8)10-4-3-5-11(14)7-10/h6,10H,3-5,7H2,1-2H3/t10-/m0/s1.
What are the key properties of (3S)-3-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-one?
(3S)-3-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-one has a molecular weight of 192.26 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-one is sourced from PubChem (CID 97049169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).