N-[3-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-5-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide

C33H35F3N6O4 — CID 16746139

IUPACN-[3-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-5-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cc(-c5ccc(OC)cc5)n[nH]4)cc(OC)c3)cc2C(F)(F)F)CC1
InChIInChI=1S/C33H35F3N6O4/c1-4-41-11-13-42(14-12-41)20-22-5-8-24(18-28(22)33(34,35)36)37-31(43)23-15-25(17-27(16-23)46-3)38-32(44)30-19-29(39-40-30)21-6-9-26(45-2)10-7-21/h5-10,15-19H,4,11-14,20H2,1-3H3,(H,37,43)(H,38,44)(H,39,40)
InChIKeyXJWJWPUTACXQHR-UHFFFAOYSA-N
MW636.68 g/mol
LogP5.75
Rot. Bonds10

About N-[3-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-5-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide

N-[3-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-5-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 16746139) has the molecular formula C33H35F3N6O4 and a molecular weight of 636.68 g/mol. Its IUPAC name is N-[3-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-5-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-5-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID16746139
Molecular FormulaC33H35F3N6O4
Molecular Weight636.68 g/mol
Exact Mass636.27
IUPAC NameN-[3-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-5-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cc(-c5ccc(OC)cc5)n[nH]4)cc(OC)c3)cc2C(F)(F)F)CC1
InChIInChI=1S/C33H35F3N6O4/c1-4-41-11-13-42(14-12-41)20-22-5-8-24(18-28(22)33(34,35)36)37-31(43)23-15-25(17-27(16-23)46-3)38-32(44)30-19-29(39-40-30)21-6-9-26(45-2)10-7-21/h5-10,15-19H,4,11-14,20H2,1-3H3,(H,37,43)(H,38,44)(H,39,40)
InChIKeyXJWJWPUTACXQHR-UHFFFAOYSA-N
XLogP5.75
TPSA111.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.68
LogP ≤ 55.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[3-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-5-methoxyphenyl]-3-(4-methoxyphenyl)-1H-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

N-[3-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-5-methoxyphenyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxamide
CID 16746087
N-[3-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-5-methoxyphenyl]-2H-benzotriazole-5-carboxamide
CID 16746138
N-[(4-fluorophenyl)methyl]-3-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 49790685
(4-(2-methoxyphenyl)piperazin-1-yl)(3-(4-(trifluoromethoxy)phenyl)-1H-pyrazol-5-yl)methanone
CID 54586802
3-(4-methoxyphenyl)-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1H-pyrazole-5-carboxamide
CID 16745784
(2-fluorophenyl)-[4-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
CID 20910912
3-(3-methoxyphenyl)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-1H-pyrazole-5-carboxamide
CID 44525826
N-(3-methoxy-5-(3-(trifluoromethyl)phenylcarbamoyl)phenyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide 2,2,2-trifluoroacetate
CID 46902896
3-(4-ethoxy-2-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 46942703
3-(4-methoxy-2-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 46943935
N-(4-acetamidophenyl)-3-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 46948688
N-(3,4-dimethoxyphenyl)-3-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 49795467

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-5-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-5-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 16746139) is N-[3-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-5-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-5-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-5-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide is CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cc(-c5ccc(OC)cc5)n[nH]4)cc(OC)c3)cc2C(F)(F)F)CC1.
What is the InChIKey of N-[3-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-5-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is XJWJWPUTACXQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35F3N6O4/c1-4-41-11-13-42(14-12-41)20-22-5-8-24(18-28(22)33(34,35)36)37-31(43)23-15-25(17-27(16-23)46-3)38-32(44)30-19-29(39-40-30)21-6-9-26(45-2)10-7-21/h5-10,15-19H,4,11-14,20H2,1-3H3,(H,37,43)(H,38,44)(H,39,40).
What are the key properties of N-[3-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-5-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-[3-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-5-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 636.68 g/mol, XLogP of 5.75, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-5-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 16746139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).