N-(2-hydroxyethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]benzamide

C23H27N5O2 — CID 53325494

IUPACN-(2-hydroxyethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]benzamide
SMILESCN1CCN(c2ccc(-c3cc(-c4cccc(C(=O)NCCO)c4)n[nH]3)cc2)CC1
InChIInChI=1S/C23H27N5O2/c1-27-10-12-28(13-11-27)20-7-5-17(6-8-20)21-16-22(26-25-21)18-3-2-4-19(15-18)23(30)24-9-14-29/h2-8,15-16,29H,9-14H2,1H3,(H,24,30)(H,25,26)
InChIKeyZBCFBSCMUFDWGL-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.22
Rot. Bonds6

About N-(2-hydroxyethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]benzamide

N-(2-hydroxyethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]benzamide (PubChem CID 53325494) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]benzamide
PubChem CID53325494
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-(2-hydroxyethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]benzamide
SMILESCN1CCN(c2ccc(-c3cc(-c4cccc(C(=O)NCCO)c4)n[nH]3)cc2)CC1
InChIInChI=1S/C23H27N5O2/c1-27-10-12-28(13-11-27)20-7-5-17(6-8-20)21-16-22(26-25-21)18-3-2-4-19(15-18)23(30)24-9-14-29/h2-8,15-16,29H,9-14H2,1H3,(H,24,30)(H,25,26)
InChIKeyZBCFBSCMUFDWGL-UHFFFAOYSA-N
XLogP2.22
TPSA84.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(2-hydroxyethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-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

Related Compounds

N-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]methyl]-5-methyl-1H-indazole-3-carboxamide
CID 9889536
(R)-N-(1-cyanoethyl)-3-(5-(4-((isopropylamino)methyl)phenyl)-1H-pyrazol-3-yl)benzamide
CID 51346849
N-isopropyl-3-{5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl}benzamide
CID 53317611
3-(5-(3-bromo-4-(4-methylpiperazin-1-yl)phenyl)-1H-pyrazol-3-yl)-N-isopropylbenzamide
CID 53320215
3-(5-(3-bromo-4-(4-methylpiperazin-1-yl)phenyl)-1H-pyrazol-3-yl)-N-(cyanomethyl)benzamide
CID 53321599
N-isopropyl-3-(5-(6-(4-methylpiperazin-1-yl)biphenyl-3-yl)-1H-pyrazol-3-yl)benzamide
CID 53322863
3-[5-(4-cyclopropylaminomethylphenyl)-1H-pyrazol-3-yl]-N-isopropylbenzamide
CID 53324184
N-(cyanomethyl)-3-(5-(4-(4-methylpiperazin-1-yl)phenyl)-1H-pyrazol-3-yl)benzamide
CID 53324194
N-(2-cyanoethyl)-3-(5-(4-(4-methylpiperazin-1-yl)phenyl)-1H-pyrazol-3-yl)benzamide
CID 53326662
ethyl N-[[4-[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate
CID 70654694
N-[5-[4-(ethylcarbamoylamino)phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 70654866
3-[4-(4-hydroxypiperidin-1-yl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indazole-5-carboxamide
CID 71550158

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]benzamide (CID 53325494) is N-(2-hydroxyethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]benzamide is CN1CCN(c2ccc(-c3cc(-c4cccc(C(=O)NCCO)c4)n[nH]3)cc2)CC1.
What is the InChIKey of N-(2-hydroxyethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]benzamide?
The InChIKey is ZBCFBSCMUFDWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-27-10-12-28(13-11-27)20-7-5-17(6-8-20)21-16-22(26-25-21)18-3-2-4-19(15-18)23(30)24-9-14-29/h2-8,15-16,29H,9-14H2,1H3,(H,24,30)(H,25,26).
What are the key properties of N-(2-hydroxyethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]benzamide?
N-(2-hydroxyethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]benzamide has a molecular weight of 405.50 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 53325494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).