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

C23H21F3N6O — CID 39058603

IUPACN-[(1-phenylpyrazol-4-yl)methyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NCc2cnn(-c3ccccc3)c2)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C23H21F3N6O/c1-15(2)21-19(13-30-32(21)20-9-8-17(12-27-20)23(24,25)26)22(33)28-10-16-11-29-31(14-16)18-6-4-3-5-7-18/h3-9,11-15H,10H2,1-2H3,(H,28,33)
InChIKeyNCJNPADWRGUCLJ-UHFFFAOYSA-N
MW454.46 g/mol
LogP4.53
Rot. Bonds6

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

N-[(1-phenylpyrazol-4-yl)methyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 39058603) has the molecular formula C23H21F3N6O and a molecular weight of 454.46 g/mol. Its IUPAC name is N-[(1-phenylpyrazol-4-yl)methyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-phenylpyrazol-4-yl)methyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID39058603
Molecular FormulaC23H21F3N6O
Molecular Weight454.46 g/mol
Exact Mass454.17
IUPAC NameN-[(1-phenylpyrazol-4-yl)methyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NCc2cnn(-c3ccccc3)c2)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C23H21F3N6O/c1-15(2)21-19(13-30-32(21)20-9-8-17(12-27-20)23(24,25)26)22(33)28-10-16-11-29-31(14-16)18-6-4-3-5-7-18/h3-9,11-15H,10H2,1-2H3,(H,28,33)
InChIKeyNCJNPADWRGUCLJ-UHFFFAOYSA-N
XLogP4.53
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylpropyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 39041621
N-(3-methyl-2-phenylbutyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 71685182
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 43070297
N-[2-(N-methylanilino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 55721330
5-propan-2-yl-N-(thiophen-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 39041012
N-(3-aminobutyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 119497605
N-[2-(methylamino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride
CID 120831966
N-[(2R)-2-(ethylamino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 120654935
N-butyl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 46429671
(2R)-2-[[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]amino]propanoic acid
CID 119369745
N-[2-(tert-butylamino)-2-oxoethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 43070304
N'-(2-methylbenzoyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide
CID 46480692

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylpyrazol-4-yl)methyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(1-phenylpyrazol-4-yl)methyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 39058603) is N-[(1-phenylpyrazol-4-yl)methyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1-phenylpyrazol-4-yl)methyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(1-phenylpyrazol-4-yl)methyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is CC(C)c1c(C(=O)NCc2cnn(-c3ccccc3)c2)cnn1-c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[(1-phenylpyrazol-4-yl)methyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is NCJNPADWRGUCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O/c1-15(2)21-19(13-30-32(21)20-9-8-17(12-27-20)23(24,25)26)22(33)28-10-16-11-29-31(14-16)18-6-4-3-5-7-18/h3-9,11-15H,10H2,1-2H3,(H,28,33).
What are the key properties of N-[(1-phenylpyrazol-4-yl)methyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
N-[(1-phenylpyrazol-4-yl)methyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 454.46 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylpyrazol-4-yl)methyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 39058603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).