4-[[4-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methyl]benzamide

C29H29N5O3 — CID 112827519

IUPAC4-[[4-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methyl]benzamide
SMILESCOc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCN(Cc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C29H29N5O3/c1-37-26-10-6-5-9-24(26)27-25(20-34(31-27)23-7-3-2-4-8-23)29(36)33-17-15-32(16-18-33)19-21-11-13-22(14-12-21)28(30)35/h2-14,20H,15-19H2,1H3,(H2,30,35)
InChIKeyHUBDHEYNTSKGDY-UHFFFAOYSA-N
MW495.58 g/mol
LogP3.60
Rot. Bonds7

About 4-[[4-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methyl]benzamide

4-[[4-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methyl]benzamide (PubChem CID 112827519) has the molecular formula C29H29N5O3 and a molecular weight of 495.58 g/mol. Its IUPAC name is 4-[[4-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[4-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methyl]benzamide
PubChem CID112827519
Molecular FormulaC29H29N5O3
Molecular Weight495.58 g/mol
Exact Mass495.23
IUPAC Name4-[[4-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methyl]benzamide
SMILESCOc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCN(Cc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C29H29N5O3/c1-37-26-10-6-5-9-24(26)27-25(20-34(31-27)23-7-3-2-4-8-23)29(36)33-17-15-32(16-18-33)19-21-11-13-22(14-12-21)28(30)35/h2-14,20H,15-19H2,1H3,(H2,30,35)
InChIKeyHUBDHEYNTSKGDY-UHFFFAOYSA-N
XLogP3.60
TPSA93.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[4-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methyl]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

[4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 112763080
(1,3-diphenylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226122
[1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 25393779
[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 112802779
[4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 24625309
azocan-1-yl-[3-(2,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 112793142
[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone
CID 8852508
[4-(1,3-diphenylpyrazole-4-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 38320860
N-[1-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]-2-methylbenzamide
CID 39510688
4-[[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methyl]benzamide
CID 112842395
[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 119402162
[3-(2,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
CID 29202082

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[4-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methyl]benzamide (CID 112827519) is 4-[[4-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[4-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[4-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methyl]benzamide is COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCN(Cc2ccc(C(N)=O)cc2)CC1.
What is the InChIKey of 4-[[4-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methyl]benzamide?
The InChIKey is HUBDHEYNTSKGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O3/c1-37-26-10-6-5-9-24(26)27-25(20-34(31-27)23-7-3-2-4-8-23)29(36)33-17-15-32(16-18-33)19-21-11-13-22(14-12-21)28(30)35/h2-14,20H,15-19H2,1H3,(H2,30,35).
What are the key properties of 4-[[4-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methyl]benzamide?
4-[[4-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methyl]benzamide has a molecular weight of 495.58 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 112827519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).