1-(3-cyanophenyl)-N-[3-[hydroxy(pyridin-4-yl)methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C24H16F3N5O2 — CID 126665773

IUPAC1-(3-cyanophenyl)-N-[3-[hydroxy(pyridin-4-yl)methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESN#Cc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cccc(C(O)c3ccncc3)c2)c1
InChIInChI=1S/C24H16F3N5O2/c25-24(26,27)21-13-20(32(31-21)19-6-1-3-15(11-19)14-28)23(34)30-18-5-2-4-17(12-18)22(33)16-7-9-29-10-8-16/h1-13,22,33H,(H,30,34)
InChIKeyMZGXMRICEHCYLY-UHFFFAOYSA-N
MW463.42 g/mol
LogP4.49
Rot. Bonds5

About 1-(3-cyanophenyl)-N-[3-[hydroxy(pyridin-4-yl)methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

1-(3-cyanophenyl)-N-[3-[hydroxy(pyridin-4-yl)methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 126665773) has the molecular formula C24H16F3N5O2 and a molecular weight of 463.42 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-N-[3-[hydroxy(pyridin-4-yl)methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-cyanophenyl)-N-[3-[hydroxy(pyridin-4-yl)methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID126665773
Molecular FormulaC24H16F3N5O2
Molecular Weight463.42 g/mol
Exact Mass463.13
IUPAC Name1-(3-cyanophenyl)-N-[3-[hydroxy(pyridin-4-yl)methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESN#Cc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cccc(C(O)c3ccncc3)c2)c1
InChIInChI=1S/C24H16F3N5O2/c25-24(26,27)21-13-20(32(31-21)19-6-1-3-15(11-19)14-28)23(34)30-18-5-2-4-17(12-18)22(33)16-7-9-29-10-8-16/h1-13,22,33H,(H,30,34)
InChIKeyMZGXMRICEHCYLY-UHFFFAOYSA-N
XLogP4.49
TPSA103.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.42
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-N-[3-[hydroxy(pyridin-4-yl)methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(3-cyanophenyl)-N-[3-[hydroxy(pyridin-4-yl)methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 126665773) is 1-(3-cyanophenyl)-N-[3-[hydroxy(pyridin-4-yl)methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(3-cyanophenyl)-N-[3-[hydroxy(pyridin-4-yl)methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(3-cyanophenyl)-N-[3-[hydroxy(pyridin-4-yl)methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is N#Cc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cccc(C(O)c3ccncc3)c2)c1.
What is the InChIKey of 1-(3-cyanophenyl)-N-[3-[hydroxy(pyridin-4-yl)methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is MZGXMRICEHCYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N5O2/c25-24(26,27)21-13-20(32(31-21)19-6-1-3-15(11-19)14-28)23(34)30-18-5-2-4-17(12-18)22(33)16-7-9-29-10-8-16/h1-13,22,33H,(H,30,34).
What are the key properties of 1-(3-cyanophenyl)-N-[3-[hydroxy(pyridin-4-yl)methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-(3-cyanophenyl)-N-[3-[hydroxy(pyridin-4-yl)methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 463.42 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-N-[3-[hydroxy(pyridin-4-yl)methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 126665773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).