N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

C29H34N6O — CID 20915237

IUPACN-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCCN1CCN(Cc2ccc(NC(=O)c3c(C)nn(-c4ccc(C)cc4)c3-n3cccc3)cc2)CC1
InChIInChI=1S/C29H34N6O/c1-4-32-17-19-33(20-18-32)21-24-9-11-25(12-10-24)30-28(36)27-23(3)31-35(26-13-7-22(2)8-14-26)29(27)34-15-5-6-16-34/h5-16H,4,17-21H2,1-3H3,(H,30,36)
InChIKeyWENLQEILFUDIQM-UHFFFAOYSA-N
MW482.63 g/mol
LogP4.67
Rot. Bonds7

About N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 20915237) has the molecular formula C29H34N6O and a molecular weight of 482.63 g/mol. Its IUPAC name is N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID20915237
Molecular FormulaC29H34N6O
Molecular Weight482.63 g/mol
Exact Mass482.28
IUPAC NameN-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCCN1CCN(Cc2ccc(NC(=O)c3c(C)nn(-c4ccc(C)cc4)c3-n3cccc3)cc2)CC1
InChIInChI=1S/C29H34N6O/c1-4-32-17-19-33(20-18-32)21-24-9-11-25(12-10-24)30-28(36)27-23(3)31-35(26-13-7-22(2)8-14-26)29(27)34-15-5-6-16-34/h5-16H,4,17-21H2,1-3H3,(H,30,36)
InChIKeyWENLQEILFUDIQM-UHFFFAOYSA-N
XLogP4.67
TPSA58.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-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-(1-benzylpiperidin-4-yl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915182
N-(3,5-dimethylphenyl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915222
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915143
N-(3,5-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915121
N-(4-fluorophenyl)-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892669
4-(3,5-dimethylpyrazol-1-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide
CID 55664687
3-methyl-N-[(4-methylphenyl)methyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892672
1-(4-ethylphenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928162
N-[4-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 46671077
N-(2-methoxyethyl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915137
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2,4-dimethylbenzamide
CID 55664564
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 55812614

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 20915237) is N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is CCN1CCN(Cc2ccc(NC(=O)c3c(C)nn(-c4ccc(C)cc4)c3-n3cccc3)cc2)CC1.
What is the InChIKey of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is WENLQEILFUDIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O/c1-4-32-17-19-33(20-18-32)21-24-9-11-25(12-10-24)30-28(36)27-23(3)31-35(26-13-7-22(2)8-14-26)29(27)34-15-5-6-16-34/h5-16H,4,17-21H2,1-3H3,(H,30,36).
What are the key properties of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 482.63 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20915237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).