N-[1-[4-methoxy-3-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-piperazin-1-ylbenzamide

C25H31N5O2 — CID 165115872

IUPACN-[1-[4-methoxy-3-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-piperazin-1-ylbenzamide
SMILESCOc1ccc(C(C)NC(=O)c2cc(N3CCNCC3)ccc2C)cc1-c1cnn(C)c1
InChIInChI=1S/C25H31N5O2/c1-17-5-7-21(30-11-9-26-10-12-30)14-22(17)25(31)28-18(2)19-6-8-24(32-4)23(13-19)20-15-27-29(3)16-20/h5-8,13-16,18,26H,9-12H2,1-4H3,(H,28,31)
InChIKeyGSMZBQOXUDFPDO-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.30
Rot. Bonds6

About N-[1-[4-methoxy-3-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-piperazin-1-ylbenzamide

N-[1-[4-methoxy-3-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-piperazin-1-ylbenzamide (PubChem CID 165115872) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-[1-[4-methoxy-3-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-piperazin-1-ylbenzamide.

Molecular Properties

Compound NameN-[1-[4-methoxy-3-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-piperazin-1-ylbenzamide
PubChem CID165115872
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC NameN-[1-[4-methoxy-3-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-piperazin-1-ylbenzamide
SMILESCOc1ccc(C(C)NC(=O)c2cc(N3CCNCC3)ccc2C)cc1-c1cnn(C)c1
InChIInChI=1S/C25H31N5O2/c1-17-5-7-21(30-11-9-26-10-12-30)14-22(17)25(31)28-18(2)19-6-8-24(32-4)23(13-19)20-15-27-29(3)16-20/h5-8,13-16,18,26H,9-12H2,1-4H3,(H,28,31)
InChIKeyGSMZBQOXUDFPDO-UHFFFAOYSA-N
XLogP3.30
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-3-trifluoromethyl-benzamide
CID 46833075
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-fluorobenzamide
CID 11655664
N-(4-(1H-pyrazol-4-yl)phenyl)-6-(4-methylpiperazine-1-carbonyl)chroman-3-carboxamide
CID 44124778
N3-(4-(1H-pyrazol-4-yl)phenyl)-N6-(2-(dimethylamino)ethyl)chroman-3,6-dicarboxamide
CID 44571470
N3-(4-(1H-pyrazol-4-yl)phenyl)-N6,N6-dimethylchroman-3,6-dicarboxamide
CID 44571601
N3-(4-(1H-pyrazol-4-yl)phenyl)-N6-(2-(dimethylamino)ethyl)-N6-methylchroman-3,6-dicarboxamide
CID 44571681
N-{3-(2-Methyl-2H-pyrazol-3-yl)-4-[2-(3-oxo-piperazin-1-yl)-ethoxy]-phenyl}-3-trifluoromethyl-benzamide
CID 46833077
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-(trifluoromethyl)benzamide
CID 46833371
N-(5-Amino-1-(4-methoxybenzyl)-1H-pyrazol-4-yl)-2-methyl-5-(3-(trifluoromethyl)benzamido)benzamide
CID 52939107
N-(5-Amino-1-(4-methoxybenzyl)-1H-pyrazol-4-yl)-2-methyl-5-(3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzamido)benzamide
CID 53317057
4-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-N-[(1S)-1-naphthalen-1-ylethyl]piperazine-1-carboxamide
CID 70802548
US10138229, Example 29
CID 89968957

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-methoxy-3-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-piperazin-1-ylbenzamide?
The IUPAC name of N-[1-[4-methoxy-3-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-piperazin-1-ylbenzamide (CID 165115872) is N-[1-[4-methoxy-3-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-piperazin-1-ylbenzamide.
What is the SMILES notation for N-[1-[4-methoxy-3-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-piperazin-1-ylbenzamide?
The canonical SMILES for N-[1-[4-methoxy-3-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-piperazin-1-ylbenzamide is COc1ccc(C(C)NC(=O)c2cc(N3CCNCC3)ccc2C)cc1-c1cnn(C)c1.
What is the InChIKey of N-[1-[4-methoxy-3-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-piperazin-1-ylbenzamide?
The InChIKey is GSMZBQOXUDFPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-17-5-7-21(30-11-9-26-10-12-30)14-22(17)25(31)28-18(2)19-6-8-24(32-4)23(13-19)20-15-27-29(3)16-20/h5-8,13-16,18,26H,9-12H2,1-4H3,(H,28,31).
What are the key properties of N-[1-[4-methoxy-3-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-piperazin-1-ylbenzamide?
N-[1-[4-methoxy-3-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-piperazin-1-ylbenzamide has a molecular weight of 433.56 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-methoxy-3-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-piperazin-1-ylbenzamide is sourced from PubChem (CID 165115872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).