[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone

C18H20N6O — CID 120877640

IUPAC[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
SMILESCn1ccnc1C1CNCCN1C(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H20N6O/c1-22-11-9-20-17(22)16-13-19-8-12-23(16)18(25)14-3-5-15(6-4-14)24-10-2-7-21-24/h2-7,9-11,16,19H,8,12-13H2,1H3
InChIKeyDEPYDQLLFHESOC-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.39
Rot. Bonds3

About [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone

[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone (PubChem CID 120877640) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
PubChem CID120877640
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
SMILESCn1ccnc1C1CNCCN1C(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H20N6O/c1-22-11-9-20-17(22)16-13-19-8-12-23(16)18(25)14-3-5-15(6-4-14)24-10-2-7-21-24/h2-7,9-11,16,19H,8,12-13H2,1H3
InChIKeyDEPYDQLLFHESOC-UHFFFAOYSA-N
XLogP1.39
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 120879403
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120878912
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880182
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-propylphenyl)methanone;hydrochloride
CID 120877871
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880181
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120878927
N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide
CID 120878564
2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide
CID 120879890
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone;hydrochloride
CID 120878645
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120879273
(3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880230
2,3-dihydro-1H-inden-5-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880409

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
The IUPAC name of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone (CID 120877640) is [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone is Cn1ccnc1C1CNCCN1C(=O)c1ccc(-n2cccn2)cc1.
What is the InChIKey of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
The InChIKey is DEPYDQLLFHESOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-22-11-9-20-17(22)16-13-19-8-12-23(16)18(25)14-3-5-15(6-4-14)24-10-2-7-21-24/h2-7,9-11,16,19H,8,12-13H2,1H3.
What are the key properties of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone has a molecular weight of 336.40 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 120877640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).