4-bromo-3-[[cyclopropylidene-(2-methylphenyl)methyl]amino]-N-[(3S)-1-phenylpentan-3-yl]-1H-pyrazole-5-carboxamide;propane

C29H37BrN4O — CID 142965404

IUPAC4-bromo-3-[[cyclopropylidene-(2-methylphenyl)methyl]amino]-N-[(3S)-1-phenylpentan-3-yl]-1H-pyrazole-5-carboxamide;propane
SMILESCCC.CC[C@@H](CCc1ccccc1)NC(=O)c1[nH]nc(NC(=C2CC2)c2ccccc2C)c1Br
InChIInChI=1S/C26H29BrN4O.C3H8/c1-3-20(16-13-18-10-5-4-6-11-18)28-26(32)24-22(27)25(31-30-24)29-23(19-14-15-19)21-12-8-7-9-17(21)2;1-3-2/h4-12,20H,3,13-16H2,1-2H3,(H,28,32)(H2,29,30,31);3H2,1-2H3/t20-;/m0./s1
InChIKeyHRYJMODHTOPIHE-BDQAORGHSA-N
MW537.55 g/mol
LogP7.66
Rot. Bonds9

About 4-bromo-3-[[cyclopropylidene-(2-methylphenyl)methyl]amino]-N-[(3S)-1-phenylpentan-3-yl]-1H-pyrazole-5-carboxamide;propane

4-bromo-3-[[cyclopropylidene-(2-methylphenyl)methyl]amino]-N-[(3S)-1-phenylpentan-3-yl]-1H-pyrazole-5-carboxamide;propane (PubChem CID 142965404) has the molecular formula C29H37BrN4O and a molecular weight of 537.55 g/mol. Its IUPAC name is 4-bromo-3-[[cyclopropylidene-(2-methylphenyl)methyl]amino]-N-[(3S)-1-phenylpentan-3-yl]-1H-pyrazole-5-carboxamide;propane.

Molecular Properties

Compound Name4-bromo-3-[[cyclopropylidene-(2-methylphenyl)methyl]amino]-N-[(3S)-1-phenylpentan-3-yl]-1H-pyrazole-5-carboxamide;propane
PubChem CID142965404
Molecular FormulaC29H37BrN4O
Molecular Weight537.55 g/mol
Exact Mass536.22
IUPAC Name4-bromo-3-[[cyclopropylidene-(2-methylphenyl)methyl]amino]-N-[(3S)-1-phenylpentan-3-yl]-1H-pyrazole-5-carboxamide;propane
SMILESCCC.CC[C@@H](CCc1ccccc1)NC(=O)c1[nH]nc(NC(=C2CC2)c2ccccc2C)c1Br
InChIInChI=1S/C26H29BrN4O.C3H8/c1-3-20(16-13-18-10-5-4-6-11-18)28-26(32)24-22(27)25(31-30-24)29-23(19-14-15-19)21-12-8-7-9-17(21)2;1-3-2/h4-12,20H,3,13-16H2,1-2H3,(H,28,32)(H2,29,30,31);3H2,1-2H3/t20-;/m0./s1
InChIKeyHRYJMODHTOPIHE-BDQAORGHSA-N
XLogP7.66
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.55
LogP ≤ 57.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-bromo-3-[[cyclopropylidene-(2-methylphenyl)methyl]amino]-N-[(3S)-1-phenylpentan-3-yl]-1H-pyrazole-5-carboxamide;propane 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

4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(2R)-1-(dimethylamino)-1-oxobutan-2-yl]-1H-pyrazole-5-carboxamide
CID 11259614
4-bromo-N-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 110907793
N-[(2S)-1-amino-1-oxopropan-2-yl]-4-bromo-3-[(2-phosphanylbenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 142965620
2,3-dimethyl-N-(1-pyridin-2-ylpentan-3-yl)benzamide
CID 68781328
N-benzyl-4-bromo-3-[(2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 11339494
4-bromo-3-[(2-chlorobenzoyl)amino]-N-[1-[cyclopropyl(methyl)amino]propan-2-yl]-1H-pyrazole-5-carboxamide
CID 11385508
3-[(2-bromo-3-methylbenzoyl)amino]pentanoic acid
CID 107981531
4-bromo-N-(4-phenylbutan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56560954
N-(1-chlorobutan-2-yl)-2-methylbenzamide
CID 114294187
2-bromo-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbenzamide
CID 105342980
4-bromo-3-[(2-chlorobenzoyl)amino]-N-[1-(1-methylpiperidin-4-yl)propan-2-yl]-1H-pyrazole-5-carboxamide
CID 59773493
acetaldehyde;N-[4-bromo-5-[1-(ethylamino)ethenyl]-1H-pyrazol-3-yl]-2-methylbenzamide;2-(2-cyclopropylethyl)-N,N-dimethylaniline
CID 142965444

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[[cyclopropylidene-(2-methylphenyl)methyl]amino]-N-[(3S)-1-phenylpentan-3-yl]-1H-pyrazole-5-carboxamide;propane?
The IUPAC name of 4-bromo-3-[[cyclopropylidene-(2-methylphenyl)methyl]amino]-N-[(3S)-1-phenylpentan-3-yl]-1H-pyrazole-5-carboxamide;propane (CID 142965404) is 4-bromo-3-[[cyclopropylidene-(2-methylphenyl)methyl]amino]-N-[(3S)-1-phenylpentan-3-yl]-1H-pyrazole-5-carboxamide;propane.
What is the SMILES notation for 4-bromo-3-[[cyclopropylidene-(2-methylphenyl)methyl]amino]-N-[(3S)-1-phenylpentan-3-yl]-1H-pyrazole-5-carboxamide;propane?
The canonical SMILES for 4-bromo-3-[[cyclopropylidene-(2-methylphenyl)methyl]amino]-N-[(3S)-1-phenylpentan-3-yl]-1H-pyrazole-5-carboxamide;propane is CCC.CC[C@@H](CCc1ccccc1)NC(=O)c1[nH]nc(NC(=C2CC2)c2ccccc2C)c1Br.
What is the InChIKey of 4-bromo-3-[[cyclopropylidene-(2-methylphenyl)methyl]amino]-N-[(3S)-1-phenylpentan-3-yl]-1H-pyrazole-5-carboxamide;propane?
The InChIKey is HRYJMODHTOPIHE-BDQAORGHSA-N. The full InChI is InChI=1S/C26H29BrN4O.C3H8/c1-3-20(16-13-18-10-5-4-6-11-18)28-26(32)24-22(27)25(31-30-24)29-23(19-14-15-19)21-12-8-7-9-17(21)2;1-3-2/h4-12,20H,3,13-16H2,1-2H3,(H,28,32)(H2,29,30,31);3H2,1-2H3/t20-;/m0./s1.
What are the key properties of 4-bromo-3-[[cyclopropylidene-(2-methylphenyl)methyl]amino]-N-[(3S)-1-phenylpentan-3-yl]-1H-pyrazole-5-carboxamide;propane?
4-bromo-3-[[cyclopropylidene-(2-methylphenyl)methyl]amino]-N-[(3S)-1-phenylpentan-3-yl]-1H-pyrazole-5-carboxamide;propane has a molecular weight of 537.55 g/mol, XLogP of 7.66, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[[cyclopropylidene-(2-methylphenyl)methyl]amino]-N-[(3S)-1-phenylpentan-3-yl]-1H-pyrazole-5-carboxamide;propane is sourced from PubChem (CID 142965404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).