N-[4-(4-methylpiperidin-1-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

C23H23F3N4O — CID 18229003

IUPACN-[4-(4-methylpiperidin-1-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)cc2)CC1
InChIInChI=1S/C23H23F3N4O/c1-16-11-13-29(14-12-16)18-9-7-17(8-10-18)28-22(31)20-15-27-30(21(20)23(24,25)26)19-5-3-2-4-6-19/h2-10,15-16H,11-14H2,1H3,(H,28,31)
InChIKeyDAYPQRBHKZDGOU-UHFFFAOYSA-N
MW428.46 g/mol
LogP5.38
Rot. Bonds4

About N-[4-(4-methylpiperidin-1-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[4-(4-methylpiperidin-1-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 18229003) has the molecular formula C23H23F3N4O and a molecular weight of 428.46 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID18229003
Molecular FormulaC23H23F3N4O
Molecular Weight428.46 g/mol
Exact Mass428.18
IUPAC NameN-[4-(4-methylpiperidin-1-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)cc2)CC1
InChIInChI=1S/C23H23F3N4O/c1-16-11-13-29(14-12-16)18-9-7-17(8-10-18)28-22(31)20-15-27-30(21(20)23(24,25)26)19-5-3-2-4-6-19/h2-10,15-16H,11-14H2,1H3,(H,28,31)
InChIKeyDAYPQRBHKZDGOU-UHFFFAOYSA-N
XLogP5.38
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.46
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylphenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 56556088
N-[4-(azepan-1-yl)phenyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55465714
1-(4-methylphenyl)-N-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51284928
N-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 2807979
1-(4-methoxyphenyl)-N-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 141265511
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24573032
N-[4-bromo-3-(trifluoromethyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24665224
N-(3-fluoro-4-methylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 16579165
1-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 56556091
5-methyl-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-4-carboxamide
CID 41420930
N-[4-[1-(5-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 171681203
N-[4-(azepan-1-yl)phenyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55545330

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 18229003) is N-[4-(4-methylpiperidin-1-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is CC1CCN(c2ccc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is DAYPQRBHKZDGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O/c1-16-11-13-29(14-12-16)18-9-7-17(8-10-18)28-22(31)20-15-27-30(21(20)23(24,25)26)19-5-3-2-4-6-19/h2-10,15-16H,11-14H2,1H3,(H,28,31).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[4-(4-methylpiperidin-1-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 428.46 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 18229003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).