1-[3-(aminomethyl)phenyl]-N-[4-(4-carbamoylphenyl)-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C25H19F4N5O2 — CID 164618865

IUPAC1-[3-(aminomethyl)phenyl]-N-[4-(4-carbamoylphenyl)-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESNCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccc(C(N)=O)cc3)cc2F)c1
InChIInChI=1S/C25H19F4N5O2/c26-19-11-17(15-4-6-16(7-5-15)23(31)35)8-9-20(19)32-24(36)21-12-22(25(27,28)29)33-34(21)18-3-1-2-14(10-18)13-30/h1-12H,13,30H2,(H2,31,35)(H,32,36)
InChIKeyNZWYXJWRRAUUNH-UHFFFAOYSA-N
MW497.45 g/mol
LogP4.51
Rot. Bonds6

About 1-[3-(aminomethyl)phenyl]-N-[4-(4-carbamoylphenyl)-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

1-[3-(aminomethyl)phenyl]-N-[4-(4-carbamoylphenyl)-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 164618865) has the molecular formula C25H19F4N5O2 and a molecular weight of 497.45 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-N-[4-(4-carbamoylphenyl)-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-N-[4-(4-carbamoylphenyl)-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID164618865
Molecular FormulaC25H19F4N5O2
Molecular Weight497.45 g/mol
Exact Mass497.15
IUPAC Name1-[3-(aminomethyl)phenyl]-N-[4-(4-carbamoylphenyl)-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESNCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccc(C(N)=O)cc3)cc2F)c1
InChIInChI=1S/C25H19F4N5O2/c26-19-11-17(15-4-6-16(7-5-15)23(31)35)8-9-20(19)32-24(36)21-12-22(25(27,28)29)33-34(21)18-3-1-2-14(10-18)13-30/h1-12H,13,30H2,(H2,31,35)(H,32,36)
InChIKeyNZWYXJWRRAUUNH-UHFFFAOYSA-N
XLogP4.51
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.45
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[3-(aminomethyl)phenyl]-N-[4-(4-carbamoylphenyl)-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 137528262
CID 137528262
CID 9937921
CID 9937921
CID 9895762
CID 9895762
CID 9915041
CID 9915041
CID 139030242
CID 139030242
CID 9549214
CID 9549214
CID 10769476
CID 10769476
CID 25158261
CID 25158261
CID 9830932
CID 9830932
CID 10597827
CID 10597827
CID 10623965
CID 10623965
CID 11755188
CID 11755188

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-N-[4-(4-carbamoylphenyl)-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-N-[4-(4-carbamoylphenyl)-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 164618865) is 1-[3-(aminomethyl)phenyl]-N-[4-(4-carbamoylphenyl)-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-N-[4-(4-carbamoylphenyl)-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-N-[4-(4-carbamoylphenyl)-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccc(C(N)=O)cc3)cc2F)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-N-[4-(4-carbamoylphenyl)-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is NZWYXJWRRAUUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F4N5O2/c26-19-11-17(15-4-6-16(7-5-15)23(31)35)8-9-20(19)32-24(36)21-12-22(25(27,28)29)33-34(21)18-3-1-2-14(10-18)13-30/h1-12H,13,30H2,(H2,31,35)(H,32,36).
What are the key properties of 1-[3-(aminomethyl)phenyl]-N-[4-(4-carbamoylphenyl)-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-[3-(aminomethyl)phenyl]-N-[4-(4-carbamoylphenyl)-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 497.45 g/mol, XLogP of 4.51, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-N-[4-(4-carbamoylphenyl)-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 164618865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).