[2-(1-methylimidazol-2-yl)piperazin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone;hydrochloride

C20H25ClN6O — CID 120878269

IUPAC[2-(1-methylimidazol-2-yl)piperazin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone;hydrochloride
SMILESCc1ccccc1-n1ncc(C(=O)N2CCNCC2c2nccn2C)c1C.Cl
InChIInChI=1S/C20H24N6O.ClH/c1-14-6-4-5-7-17(14)26-15(2)16(12-23-26)20(27)25-11-8-21-13-18(25)19-22-9-10-24(19)3;/h4-7,9-10,12,18,21H,8,11,13H2,1-3H3;1H
InChIKeyRKDPZQASLJTJQX-UHFFFAOYSA-N
MW400.91 g/mol
LogP2.43
Rot. Bonds3

About [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone;hydrochloride

[2-(1-methylimidazol-2-yl)piperazin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone;hydrochloride (PubChem CID 120878269) has the molecular formula C20H25ClN6O and a molecular weight of 400.91 g/mol. Its IUPAC name is [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[2-(1-methylimidazol-2-yl)piperazin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone;hydrochloride
PubChem CID120878269
Molecular FormulaC20H25ClN6O
Molecular Weight400.91 g/mol
Exact Mass400.18
IUPAC Name[2-(1-methylimidazol-2-yl)piperazin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone;hydrochloride
SMILESCc1ccccc1-n1ncc(C(=O)N2CCNCC2c2nccn2C)c1C.Cl
InChIInChI=1S/C20H24N6O.ClH/c1-14-6-4-5-7-17(14)26-15(2)16(12-23-26)20(27)25-11-8-21-13-18(25)19-22-9-10-24(19)3;/h4-7,9-10,12,18,21H,8,11,13H2,1-3H3;1H
InChIKeyRKDPZQASLJTJQX-UHFFFAOYSA-N
XLogP2.43
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-chloro-1-phenylpyrazol-4-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 166261409
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylquinolin-3-yl)methanone
CID 120877926
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120879273
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 120880759
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120878927
(2,4-difluoro-5-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120877772
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120878912
(2-fluoro-4-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120879020
(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120878813
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone;hydrochloride
CID 120878125
1-[5-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]thiophen-2-yl]ethanone;hydrochloride
CID 120880591
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-5-nitrophenyl)methanone;hydrochloride
CID 120880659

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone;hydrochloride?
The IUPAC name of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone;hydrochloride (CID 120878269) is [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone;hydrochloride.
What is the SMILES notation for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone;hydrochloride?
The canonical SMILES for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone;hydrochloride is Cc1ccccc1-n1ncc(C(=O)N2CCNCC2c2nccn2C)c1C.Cl.
What is the InChIKey of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone;hydrochloride?
The InChIKey is RKDPZQASLJTJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O.ClH/c1-14-6-4-5-7-17(14)26-15(2)16(12-23-26)20(27)25-11-8-21-13-18(25)19-22-9-10-24(19)3;/h4-7,9-10,12,18,21H,8,11,13H2,1-3H3;1H.
What are the key properties of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone;hydrochloride?
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone;hydrochloride has a molecular weight of 400.91 g/mol, XLogP of 2.43, 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]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone;hydrochloride is sourced from PubChem (CID 120878269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).