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

C11H16N2O — CID 97049168

IUPAC(3R)-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-/m1/s1
InChIKeyFFJYYHAGVPESMC-SNVBAGLBSA-N
MW192.26 g/mol
LogP2.18
Rot. Bonds1

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

(3R)-3-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-one (PubChem CID 97049168) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (3R)-3-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-one.

Molecular Properties

Compound Name(3R)-3-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-one
PubChem CID97049168
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(3R)-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-/m1/s1
InChIKeyFFJYYHAGVPESMC-SNVBAGLBSA-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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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-one?
The IUPAC name of (3R)-3-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-one (CID 97049168) is (3R)-3-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-one.
What is the SMILES notation for (3R)-3-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-one?
The canonical SMILES for (3R)-3-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-one is Cc1cc(C)n([C@@H]2CCCC(=O)C2)n1.
What is the InChIKey of (3R)-3-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-one?
The InChIKey is FFJYYHAGVPESMC-SNVBAGLBSA-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-/m1/s1.
What are the key properties of (3R)-3-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-one?
(3R)-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 (3R)-3-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-one is sourced from PubChem (CID 97049168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).