N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]cyclohexyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide

C20H25F3N4O — CID 53358379

IUPACN-[4-[(3,5-dimethylpyrazol-1-yl)methyl]cyclohexyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cc(C)n(CC2CCC(NC(=O)c3cc(C(F)(F)F)cnc3C)CC2)n1
InChIInChI=1S/C20H25F3N4O/c1-12-8-13(2)27(26-12)11-15-4-6-17(7-5-15)25-19(28)18-9-16(20(21,22)23)10-24-14(18)3/h8-10,15,17H,4-7,11H2,1-3H3,(H,25,28)
InChIKeyJKLLQCCOTMYIGE-UHFFFAOYSA-N
MW394.44 g/mol
LogP4.21
Rot. Bonds4

About N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]cyclohexyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide

N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]cyclohexyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 53358379) has the molecular formula C20H25F3N4O and a molecular weight of 394.44 g/mol. Its IUPAC name is N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]cyclohexyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(3,5-dimethylpyrazol-1-yl)methyl]cyclohexyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID53358379
Molecular FormulaC20H25F3N4O
Molecular Weight394.44 g/mol
Exact Mass394.20
IUPAC NameN-[4-[(3,5-dimethylpyrazol-1-yl)methyl]cyclohexyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cc(C)n(CC2CCC(NC(=O)c3cc(C(F)(F)F)cnc3C)CC2)n1
InChIInChI=1S/C20H25F3N4O/c1-12-8-13(2)27(26-12)11-15-4-6-17(7-5-15)25-19(28)18-9-16(20(21,22)23)10-24-14(18)3/h8-10,15,17H,4-7,11H2,1-3H3,(H,25,28)
InChIKeyJKLLQCCOTMYIGE-UHFFFAOYSA-N
XLogP4.21
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]cyclohexyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]cyclohexyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide (CID 53358379) is N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]cyclohexyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]cyclohexyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]cyclohexyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide is Cc1cc(C)n(CC2CCC(NC(=O)c3cc(C(F)(F)F)cnc3C)CC2)n1.
What is the InChIKey of N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]cyclohexyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is JKLLQCCOTMYIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O/c1-12-8-13(2)27(26-12)11-15-4-6-17(7-5-15)25-19(28)18-9-16(20(21,22)23)10-24-14(18)3/h8-10,15,17H,4-7,11H2,1-3H3,(H,25,28).
What are the key properties of N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]cyclohexyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]cyclohexyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]cyclohexyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 53358379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).