N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

C24H33N7O — CID 78882627

IUPACN-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCCN1CCN(Cc2ccc(CNC(=O)c3cc(-c4c(C)nn(C)c4C)n[nH]3)cc2)CC1
InChIInChI=1S/C24H33N7O/c1-5-30-10-12-31(13-11-30)16-20-8-6-19(7-9-20)15-25-24(32)22-14-21(26-27-22)23-17(2)28-29(4)18(23)3/h6-9,14H,5,10-13,15-16H2,1-4H3,(H,25,32)(H,26,27)
InChIKeyPDOOCWKRHGGNNF-UHFFFAOYSA-N
MW435.58 g/mol
LogP2.49
Rot. Bonds7

About N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 78882627) has the molecular formula C24H33N7O and a molecular weight of 435.58 g/mol. Its IUPAC name is N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID78882627
Molecular FormulaC24H33N7O
Molecular Weight435.58 g/mol
Exact Mass435.27
IUPAC NameN-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCCN1CCN(Cc2ccc(CNC(=O)c3cc(-c4c(C)nn(C)c4C)n[nH]3)cc2)CC1
InChIInChI=1S/C24H33N7O/c1-5-30-10-12-31(13-11-30)16-20-8-6-19(7-9-20)15-25-24(32)22-14-21(26-27-22)23-17(2)28-29(4)18(23)3/h6-9,14H,5,10-13,15-16H2,1-4H3,(H,25,32)(H,26,27)
InChIKeyPDOOCWKRHGGNNF-UHFFFAOYSA-N
XLogP2.49
TPSA82.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.58
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-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-[(4-methylphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880688
N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880409
N-[3-(4-benzylpiperazin-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879466
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78881896
N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880152
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
CID 78880516
N-(3-piperazin-1-ylpropyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 119394475
N-(2-amino-2-ethylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 119643846
N-(2-naphthalen-2-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880294
N-[2-(cycloheptylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119621412
N-(3-amino-2-methylpropyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 119998304
N-(pyrrolidin-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 119514663

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (CID 78882627) is N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is CCN1CCN(Cc2ccc(CNC(=O)c3cc(-c4c(C)nn(C)c4C)n[nH]3)cc2)CC1.
What is the InChIKey of N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is PDOOCWKRHGGNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O/c1-5-30-10-12-31(13-11-30)16-20-8-6-19(7-9-20)15-25-24(32)22-14-21(26-27-22)23-17(2)28-29(4)18(23)3/h6-9,14H,5,10-13,15-16H2,1-4H3,(H,25,32)(H,26,27).
What are the key properties of N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 435.58 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 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]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 78882627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).