N-[5-[4-(ethylcarbamoylamino)phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide

C24H29N7O2 — CID 70654866

IUPACN-[5-[4-(ethylcarbamoylamino)phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCCNC(=O)Nc1ccc(-c2cc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)n[nH]2)cc1
InChIInChI=1S/C24H29N7O2/c1-3-25-24(33)26-19-8-4-17(5-9-19)21-16-22(29-28-21)27-23(32)18-6-10-20(11-7-18)31-14-12-30(2)13-15-31/h4-11,16H,3,12-15H2,1-2H3,(H2,25,26,33)(H2,27,28,29,32)
InChIKeyZTCBHJYWVCQSHJ-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.22
Rot. Bonds6

About N-[5-[4-(ethylcarbamoylamino)phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide

N-[5-[4-(ethylcarbamoylamino)phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide (PubChem CID 70654866) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[5-[4-(ethylcarbamoylamino)phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[5-[4-(ethylcarbamoylamino)phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
PubChem CID70654866
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC NameN-[5-[4-(ethylcarbamoylamino)phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCCNC(=O)Nc1ccc(-c2cc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)n[nH]2)cc1
InChIInChI=1S/C24H29N7O2/c1-3-25-24(33)26-19-8-4-17(5-9-19)21-16-22(29-28-21)27-23(32)18-6-10-20(11-7-18)31-14-12-30(2)13-15-31/h4-11,16H,3,12-15H2,1-2H3,(H2,25,26,33)(H2,27,28,29,32)
InChIKeyZTCBHJYWVCQSHJ-UHFFFAOYSA-N
XLogP3.22
TPSA105.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[5-[4-(ethylcarbamoylamino)phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(ethylcarbamoylamino)phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-[5-[4-(ethylcarbamoylamino)phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide (CID 70654866) is N-[5-[4-(ethylcarbamoylamino)phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-[5-[4-(ethylcarbamoylamino)phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-[5-[4-(ethylcarbamoylamino)phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide is CCNC(=O)Nc1ccc(-c2cc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)n[nH]2)cc1.
What is the InChIKey of N-[5-[4-(ethylcarbamoylamino)phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is ZTCBHJYWVCQSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-3-25-24(33)26-19-8-4-17(5-9-19)21-16-22(29-28-21)27-23(32)18-6-10-20(11-7-18)31-14-12-30(2)13-15-31/h4-11,16H,3,12-15H2,1-2H3,(H2,25,26,33)(H2,27,28,29,32).
What are the key properties of N-[5-[4-(ethylcarbamoylamino)phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
N-[5-[4-(ethylcarbamoylamino)phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 447.54 g/mol, XLogP of 3.22, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(ethylcarbamoylamino)phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 70654866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).