5-chloro-2-methyl-3-[4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexyl]-2H-pyridine-3-carboxamide

C19H24ClF3N4O — CID 142787931

IUPAC5-chloro-2-methyl-3-[4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexyl]-2H-pyridine-3-carboxamide
SMILESCc1cc(C(F)(F)F)n(CC2CCC(C3(C(N)=O)C=C(Cl)C=NC3C)CC2)n1
InChIInChI=1S/C19H24ClF3N4O/c1-11-7-16(19(21,22)23)27(26-11)10-13-3-5-14(6-4-13)18(17(24)28)8-15(20)9-25-12(18)2/h7-9,12-14H,3-6,10H2,1-2H3,(H2,24,28)
InChIKeyTVMHXHBVXDIOLW-UHFFFAOYSA-N
MW416.88 g/mol
LogP4.08
Rot. Bonds4

About 5-chloro-2-methyl-3-[4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexyl]-2H-pyridine-3-carboxamide

5-chloro-2-methyl-3-[4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexyl]-2H-pyridine-3-carboxamide (PubChem CID 142787931) has the molecular formula C19H24ClF3N4O and a molecular weight of 416.88 g/mol. Its IUPAC name is 5-chloro-2-methyl-3-[4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexyl]-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-methyl-3-[4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexyl]-2H-pyridine-3-carboxamide
PubChem CID142787931
Molecular FormulaC19H24ClF3N4O
Molecular Weight416.88 g/mol
Exact Mass416.16
IUPAC Name5-chloro-2-methyl-3-[4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexyl]-2H-pyridine-3-carboxamide
SMILESCc1cc(C(F)(F)F)n(CC2CCC(C3(C(N)=O)C=C(Cl)C=NC3C)CC2)n1
InChIInChI=1S/C19H24ClF3N4O/c1-11-7-16(19(21,22)23)27(26-11)10-13-3-5-14(6-4-13)18(17(24)28)8-15(20)9-25-12(18)2/h7-9,12-14H,3-6,10H2,1-2H3,(H2,24,28)
InChIKeyTVMHXHBVXDIOLW-UHFFFAOYSA-N
XLogP4.08
TPSA73.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.88
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-3-[4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexyl]-2H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-2-methyl-3-[4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexyl]-2H-pyridine-3-carboxamide (CID 142787931) is 5-chloro-2-methyl-3-[4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexyl]-2H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-2-methyl-3-[4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexyl]-2H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-2-methyl-3-[4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexyl]-2H-pyridine-3-carboxamide is Cc1cc(C(F)(F)F)n(CC2CCC(C3(C(N)=O)C=C(Cl)C=NC3C)CC2)n1.
What is the InChIKey of 5-chloro-2-methyl-3-[4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexyl]-2H-pyridine-3-carboxamide?
The InChIKey is TVMHXHBVXDIOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClF3N4O/c1-11-7-16(19(21,22)23)27(26-11)10-13-3-5-14(6-4-13)18(17(24)28)8-15(20)9-25-12(18)2/h7-9,12-14H,3-6,10H2,1-2H3,(H2,24,28).
What are the key properties of 5-chloro-2-methyl-3-[4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexyl]-2H-pyridine-3-carboxamide?
5-chloro-2-methyl-3-[4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexyl]-2H-pyridine-3-carboxamide has a molecular weight of 416.88 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-3-[4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexyl]-2H-pyridine-3-carboxamide is sourced from PubChem (CID 142787931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).