N-(4-methylphenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C20H19F3N4O — CID 46430085

IUPACN-(4-methylphenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)cc1
InChIInChI=1S/C20H19F3N4O/c1-12(2)18-16(19(28)26-15-7-4-13(3)5-8-15)11-25-27(18)17-9-6-14(10-24-17)20(21,22)23/h4-12H,1-3H3,(H,26,28)
InChIKeyYLIGCLHFSANOMB-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.97
Rot. Bonds4

About N-(4-methylphenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

N-(4-methylphenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 46430085) has the molecular formula C20H19F3N4O and a molecular weight of 388.39 g/mol. Its IUPAC name is N-(4-methylphenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID46430085
Molecular FormulaC20H19F3N4O
Molecular Weight388.39 g/mol
Exact Mass388.15
IUPAC NameN-(4-methylphenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)cc1
InChIInChI=1S/C20H19F3N4O/c1-12(2)18-16(19(28)26-15-7-4-13(3)5-8-15)11-25-27(18)17-9-6-14(10-24-17)20(21,22)23/h4-12H,1-3H3,(H,26,28)
InChIKeyYLIGCLHFSANOMB-UHFFFAOYSA-N
XLogP4.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of N-(4-methylphenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 46430085) is N-(4-methylphenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is Cc1ccc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)cc1.
What is the InChIKey of N-(4-methylphenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is YLIGCLHFSANOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O/c1-12(2)18-16(19(28)26-15-7-4-13(3)5-8-15)11-25-27(18)17-9-6-14(10-24-17)20(21,22)23/h4-12H,1-3H3,(H,26,28).
What are the key properties of N-(4-methylphenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
N-(4-methylphenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 388.39 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 46430085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).