[3-(1-ethylpyrazol-4-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone

C21H26N6O — CID 118764619

IUPAC[3-(1-ethylpyrazol-4-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
SMILESCCn1cc(-c2cccc(C(=O)N3CCN(Cc4nccn4C)CC3)c2)cn1
InChIInChI=1S/C21H26N6O/c1-3-27-15-19(14-23-27)17-5-4-6-18(13-17)21(28)26-11-9-25(10-12-26)16-20-22-7-8-24(20)2/h4-8,13-15H,3,9-12,16H2,1-2H3
InChIKeyFJCRCZCDCNTICK-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.26
Rot. Bonds5

About [3-(1-ethylpyrazol-4-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone

[3-(1-ethylpyrazol-4-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone (PubChem CID 118764619) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is [3-(1-ethylpyrazol-4-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(1-ethylpyrazol-4-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
PubChem CID118764619
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name[3-(1-ethylpyrazol-4-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
SMILESCCn1cc(-c2cccc(C(=O)N3CCN(Cc4nccn4C)CC3)c2)cn1
InChIInChI=1S/C21H26N6O/c1-3-27-15-19(14-23-27)17-5-4-6-18(13-17)21(28)26-11-9-25(10-12-26)16-20-22-7-8-24(20)2/h4-8,13-15H,3,9-12,16H2,1-2H3
InChIKeyFJCRCZCDCNTICK-UHFFFAOYSA-N
XLogP2.26
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(1-ethylpyrazol-4-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone 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 [3-(1-ethylpyrazol-4-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [3-(1-ethylpyrazol-4-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone (CID 118764619) is [3-(1-ethylpyrazol-4-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [3-(1-ethylpyrazol-4-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [3-(1-ethylpyrazol-4-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone is CCn1cc(-c2cccc(C(=O)N3CCN(Cc4nccn4C)CC3)c2)cn1.
What is the InChIKey of [3-(1-ethylpyrazol-4-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is FJCRCZCDCNTICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-3-27-15-19(14-23-27)17-5-4-6-18(13-17)21(28)26-11-9-25(10-12-26)16-20-22-7-8-24(20)2/h4-8,13-15H,3,9-12,16H2,1-2H3.
What are the key properties of [3-(1-ethylpyrazol-4-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone?
[3-(1-ethylpyrazol-4-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 378.48 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-ethylpyrazol-4-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 118764619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).