N-[6-(4-hydroxycyclohexen-1-yl)-5-methyl-3-pyridinyl]-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C24H23F3N4O2 — CID 86692587

IUPACN-[6-(4-hydroxycyclohexen-1-yl)-5-methyl-3-pyridinyl]-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2C)cnc1C1=CCC(O)CC1
InChIInChI=1S/C24H23F3N4O2/c1-14-11-18(12-28-22(14)16-3-9-20(32)10-4-16)30-23(33)21-13-29-31(15(21)2)19-7-5-17(6-8-19)24(25,26)27/h3,5-8,11-13,20,32H,4,9-10H2,1-2H3,(H,30,33)
InChIKeyYNXVBYITGVXIJE-UHFFFAOYSA-N
MW456.47 g/mol
LogP5.08
Rot. Bonds4

About N-[6-(4-hydroxycyclohexen-1-yl)-5-methyl-3-pyridinyl]-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

N-[6-(4-hydroxycyclohexen-1-yl)-5-methyl-3-pyridinyl]-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 86692587) has the molecular formula C24H23F3N4O2 and a molecular weight of 456.47 g/mol. Its IUPAC name is N-[6-(4-hydroxycyclohexen-1-yl)-5-methyl-3-pyridinyl]-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(4-hydroxycyclohexen-1-yl)-5-methyl-3-pyridinyl]-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID86692587
Molecular FormulaC24H23F3N4O2
Molecular Weight456.47 g/mol
Exact Mass456.18
IUPAC NameN-[6-(4-hydroxycyclohexen-1-yl)-5-methyl-3-pyridinyl]-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2C)cnc1C1=CCC(O)CC1
InChIInChI=1S/C24H23F3N4O2/c1-14-11-18(12-28-22(14)16-3-9-20(32)10-4-16)30-23(33)21-13-29-31(15(21)2)19-7-5-17(6-8-19)24(25,26)27/h3,5-8,11-13,20,32H,4,9-10H2,1-2H3,(H,30,33)
InChIKeyYNXVBYITGVXIJE-UHFFFAOYSA-N
XLogP5.08
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.47
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[1-(2,2-dimethylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 86692615
1-(4-chlorophenyl)-N-(6-cyclohexyl-5-methyl-3-pyridinyl)-5-methylpyrazole-4-carboxamide
CID 157416031
1-[4-[5-[2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-2-oxoethyl]-3-methyl-2-pyridinyl]cyclohex-3-en-1-yl]-3,3-dimethylbutan-1-one
CID 149300155
N-(4-bromo-3-methylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 18267919
1-[1-(4-tert-butylphenyl)-5-methylpyrazol-4-yl]-2-[5-methyl-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]ethanone
CID 161422134
N-[4-(azepan-1-yl)phenyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 55510180
N-(3,5-difluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 18290570
tert-butyl N-methyl-N-[4-[3-methyl-5-[2-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-oxoethyl]-2-pyridinyl]cyclohex-3-en-1-yl]carbamate
CID 160935498
1-(4-fluorophenyl)-5-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide
CID 45255298
5-methyl-1-[4-[[2-methyl-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrazole-4-carboxylic acid
CID 167787588
N-(3,4-difluorophenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 18208842
N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 46583862

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-hydroxycyclohexen-1-yl)-5-methyl-3-pyridinyl]-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of N-[6-(4-hydroxycyclohexen-1-yl)-5-methyl-3-pyridinyl]-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 86692587) is N-[6-(4-hydroxycyclohexen-1-yl)-5-methyl-3-pyridinyl]-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[6-(4-hydroxycyclohexen-1-yl)-5-methyl-3-pyridinyl]-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[6-(4-hydroxycyclohexen-1-yl)-5-methyl-3-pyridinyl]-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is Cc1cc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2C)cnc1C1=CCC(O)CC1.
What is the InChIKey of N-[6-(4-hydroxycyclohexen-1-yl)-5-methyl-3-pyridinyl]-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is YNXVBYITGVXIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O2/c1-14-11-18(12-28-22(14)16-3-9-20(32)10-4-16)30-23(33)21-13-29-31(15(21)2)19-7-5-17(6-8-19)24(25,26)27/h3,5-8,11-13,20,32H,4,9-10H2,1-2H3,(H,30,33).
What are the key properties of N-[6-(4-hydroxycyclohexen-1-yl)-5-methyl-3-pyridinyl]-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
N-[6-(4-hydroxycyclohexen-1-yl)-5-methyl-3-pyridinyl]-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 456.47 g/mol, XLogP of 5.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-hydroxycyclohexen-1-yl)-5-methyl-3-pyridinyl]-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 86692587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).