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

C19H22Cl2N6O — CID 120878291

IUPAC[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1C(=O)c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C19H21ClN6O.ClH/c1-24-8-7-22-18(24)17-11-21-6-9-26(17)19(27)15-10-23-25(13-15)12-14-4-2-3-5-16(14)20;/h2-5,7-8,10,13,17,21H,6,9,11-12H2,1H3;1H
InChIKeyOTPVNJVLGPBUSH-UHFFFAOYSA-N
MW421.33 g/mol
LogP2.53
Rot. Bonds4

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

[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 120878291) has the molecular formula C19H22Cl2N6O and a molecular weight of 421.33 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
PubChem CID120878291
Molecular FormulaC19H22Cl2N6O
Molecular Weight421.33 g/mol
Exact Mass420.12
IUPAC Name[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1C(=O)c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C19H21ClN6O.ClH/c1-24-8-7-22-18(24)17-11-21-6-9-26(17)19(27)15-10-23-25(13-15)12-14-4-2-3-5-16(14)20;/h2-5,7-8,10,13,17,21H,6,9,11-12H2,1H3;1H
InChIKeyOTPVNJVLGPBUSH-UHFFFAOYSA-N
XLogP2.53
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

[1-(3-chlorophenyl)pyrazol-4-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880813
2-(2,6-dichlorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120880473
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120878927
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120878912
(3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880230
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 120877640
2-(2-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120879127
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120879273
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone;hydrochloride
CID 120878645
[2-(2,3-dichlorophenyl)cyclopropyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120877549
[5-(2-chlorophenyl)furan-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120878800
(5-chloro-1-phenylpyrazol-4-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 166261409

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride (CID 120878291) is [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride is Cl.Cn1ccnc1C1CNCCN1C(=O)c1cnn(Cc2ccccc2Cl)c1.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is OTPVNJVLGPBUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O.ClH/c1-24-8-7-22-18(24)17-11-21-6-9-26(17)19(27)15-10-23-25(13-15)12-14-4-2-3-5-16(14)20;/h2-5,7-8,10,13,17,21H,6,9,11-12H2,1H3;1H.
What are the key properties of [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 421.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120878291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).