1-(2-cyclohexylimino-1-pyridinyl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanone

C19H24F2N4O — CID 48655511

IUPAC1-(2-cyclohexylimino-1-pyridinyl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanone
SMILESCc1nn(C(F)F)c(C)c1CC(=O)n1cccc/c1=N\C1CCCCC1
InChIInChI=1S/C19H24F2N4O/c1-13-16(14(2)25(23-13)19(20)21)12-18(26)24-11-7-6-10-17(24)22-15-8-4-3-5-9-15/h6-7,10-11,15,19H,3-5,8-9,12H2,1-2H3/b22-17+
InChIKeyWMWQFJSGWLBXFA-OQKWZONESA-N
MW362.42 g/mol
LogP3.81
Rot. Bonds4

About 1-(2-cyclohexylimino-1-pyridinyl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanone

1-(2-cyclohexylimino-1-pyridinyl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanone (PubChem CID 48655511) has the molecular formula C19H24F2N4O and a molecular weight of 362.42 g/mol. Its IUPAC name is 1-(2-cyclohexylimino-1-pyridinyl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-(2-cyclohexylimino-1-pyridinyl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanone
PubChem CID48655511
Molecular FormulaC19H24F2N4O
Molecular Weight362.42 g/mol
Exact Mass362.19
IUPAC Name1-(2-cyclohexylimino-1-pyridinyl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanone
SMILESCc1nn(C(F)F)c(C)c1CC(=O)n1cccc/c1=N\C1CCCCC1
InChIInChI=1S/C19H24F2N4O/c1-13-16(14(2)25(23-13)19(20)21)12-18(26)24-11-7-6-10-17(24)22-15-8-4-3-5-9-15/h6-7,10-11,15,19H,3-5,8-9,12H2,1-2H3/b22-17+
InChIKeyWMWQFJSGWLBXFA-OQKWZONESA-N
XLogP3.81
TPSA52.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylimino-1-pyridinyl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanone?
The IUPAC name of 1-(2-cyclohexylimino-1-pyridinyl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanone (CID 48655511) is 1-(2-cyclohexylimino-1-pyridinyl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanone.
What is the SMILES notation for 1-(2-cyclohexylimino-1-pyridinyl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanone?
The canonical SMILES for 1-(2-cyclohexylimino-1-pyridinyl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanone is Cc1nn(C(F)F)c(C)c1CC(=O)n1cccc/c1=N\C1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylimino-1-pyridinyl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanone?
The InChIKey is WMWQFJSGWLBXFA-OQKWZONESA-N. The full InChI is InChI=1S/C19H24F2N4O/c1-13-16(14(2)25(23-13)19(20)21)12-18(26)24-11-7-6-10-17(24)22-15-8-4-3-5-9-15/h6-7,10-11,15,19H,3-5,8-9,12H2,1-2H3/b22-17+.
What are the key properties of 1-(2-cyclohexylimino-1-pyridinyl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanone?
1-(2-cyclohexylimino-1-pyridinyl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanone has a molecular weight of 362.42 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylimino-1-pyridinyl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanone is sourced from PubChem (CID 48655511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).