1-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-naphthalen-1-ylmethyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C33H30F3N5O — CID 118356190

IUPAC1-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-naphthalen-1-ylmethyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESNCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cccc(C(NCC3CC3)c3cccc4ccccc34)c2)c1
InChIInChI=1S/C33H30F3N5O/c34-33(35,36)30-18-29(41(40-30)26-11-3-6-22(16-26)19-37)32(42)39-25-10-4-9-24(17-25)31(38-20-21-14-15-21)28-13-5-8-23-7-1-2-12-27(23)28/h1-13,16-18,21,31,38H,14-15,19-20,37H2,(H,39,42)
InChIKeyNFYBGLSBONMUGA-UHFFFAOYSA-N
MW569.63 g/mol
LogP6.84
Rot. Bonds9

About 1-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-naphthalen-1-ylmethyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

1-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-naphthalen-1-ylmethyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 118356190) has the molecular formula C33H30F3N5O and a molecular weight of 569.63 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-naphthalen-1-ylmethyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-naphthalen-1-ylmethyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID118356190
Molecular FormulaC33H30F3N5O
Molecular Weight569.63 g/mol
Exact Mass569.24
IUPAC Name1-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-naphthalen-1-ylmethyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESNCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cccc(C(NCC3CC3)c3cccc4ccccc34)c2)c1
InChIInChI=1S/C33H30F3N5O/c34-33(35,36)30-18-29(41(40-30)26-11-3-6-22(16-26)19-37)32(42)39-25-10-4-9-24(17-25)31(38-20-21-14-15-21)28-13-5-8-23-7-1-2-12-27(23)28/h1-13,16-18,21,31,38H,14-15,19-20,37H2,(H,39,42)
InChIKeyNFYBGLSBONMUGA-UHFFFAOYSA-N
XLogP6.84
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.63
LogP ≤ 56.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-naphthalen-1-ylmethyl]phenyl]-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

Berotralstat
CID 137528262
2-Amino-N-(4-(5-(2-phenanthrenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)acetamide
CID 10027278
Berotralstat Hydrochloride
CID 139030242
2-(3-carbamimidoylphenyl)-5-methyl-N-[4-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-3-carboxamide
CID 10623965
FXa-IN-1
CID 11755188
(+)-1-(3-(aminomethyl)phenyl)-N-(5-((3-cyanophenyl)(cyclopropyl-methylamino)methyl)-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 118355809
(+)-N-(5-(1-amino-1-(4-carbamoylphenyl)-3-cyclopropylpropyl)-2-fluorophenyl)-1-(3-(aminomethyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 126665484
1-(3-{[(2S)-2-aminopropanamido]methyl}phenyl)-N-benzyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 24962989
2-(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 16302479
N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-(3-fluoronaphthalen-2-yl)-5-methylpyrazole-3-carboxamide
CID 9803558
N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-(3-fluoronaphthalen-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 20595247
2-(3-Fluoro-naphthalen-2-yl)-5-methyl-2H-pyrazole-3-carboxylic acid (4-carbamimidoyl-2-fluoro-phenyl)-amide
CID 20595304

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-naphthalen-1-ylmethyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-naphthalen-1-ylmethyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 118356190) is 1-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-naphthalen-1-ylmethyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-naphthalen-1-ylmethyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-naphthalen-1-ylmethyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cccc(C(NCC3CC3)c3cccc4ccccc34)c2)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-naphthalen-1-ylmethyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is NFYBGLSBONMUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30F3N5O/c34-33(35,36)30-18-29(41(40-30)26-11-3-6-22(16-26)19-37)32(42)39-25-10-4-9-24(17-25)31(38-20-21-14-15-21)28-13-5-8-23-7-1-2-12-27(23)28/h1-13,16-18,21,31,38H,14-15,19-20,37H2,(H,39,42).
What are the key properties of 1-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-naphthalen-1-ylmethyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-naphthalen-1-ylmethyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 569.63 g/mol, XLogP of 6.84, 9 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-[3-[(cyclopropylmethylamino)-naphthalen-1-ylmethyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 118356190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).