[1-(2-chlorophenyl)pyrazol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride

C15H18Cl2N4O — CID 119472175

IUPAC[1-(2-chlorophenyl)pyrazol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CNCCN1C(=O)c1ccn(-c2ccccc2Cl)n1.Cl
InChIInChI=1S/C15H17ClN4O.ClH/c1-11-10-17-7-9-19(11)15(21)13-6-8-20(18-13)14-5-3-2-4-12(14)16;/h2-6,8,11,17H,7,9-10H2,1H3;1H
InChIKeyFNAJMBNVSNZDMN-UHFFFAOYSA-N
MW341.24 g/mol
LogP2.38
Rot. Bonds2

About [1-(2-chlorophenyl)pyrazol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride

[1-(2-chlorophenyl)pyrazol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119472175) has the molecular formula C15H18Cl2N4O and a molecular weight of 341.24 g/mol. Its IUPAC name is [1-(2-chlorophenyl)pyrazol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[1-(2-chlorophenyl)pyrazol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119472175
Molecular FormulaC15H18Cl2N4O
Molecular Weight341.24 g/mol
Exact Mass340.09
IUPAC Name[1-(2-chlorophenyl)pyrazol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CNCCN1C(=O)c1ccn(-c2ccccc2Cl)n1.Cl
InChIInChI=1S/C15H17ClN4O.ClH/c1-11-10-17-7-9-19(11)15(21)13-6-8-20(18-13)14-5-3-2-4-12(14)16;/h2-6,8,11,17H,7,9-10H2,1H3;1H
InChIKeyFNAJMBNVSNZDMN-UHFFFAOYSA-N
XLogP2.38
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2,6-dichloro-4-nitrophenyl)pyrazol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119471355
[1-(2-chlorophenyl)pyrazol-3-yl]-(4-pyrrolidin-3-ylpiperazin-1-yl)methanone
CID 154762709
(3-chloro-2-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82755442
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
[1-(2-aminophenyl)pyrazol-3-yl]-(3-methylmorpholin-4-yl)methanone
CID 43541582
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119472822
N-(2-chlorophenyl)-2-methylpiperazine-1-carboxamide
CID 55104624
[1-(2-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone
CID 119400311
(2-chloro-5-phenylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 119472210
[1-(2-chlorophenyl)pyrazol-3-yl]-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone
CID 126770991
(2-methylpiperazin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
CID 71639489
(2-methylpiperazin-1-yl)-(1,2-oxazol-3-yl)methanone
CID 62671508

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)pyrazol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of [1-(2-chlorophenyl)pyrazol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride (CID 119472175) is [1-(2-chlorophenyl)pyrazol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [1-(2-chlorophenyl)pyrazol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for [1-(2-chlorophenyl)pyrazol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride is CC1CNCCN1C(=O)c1ccn(-c2ccccc2Cl)n1.Cl.
What is the InChIKey of [1-(2-chlorophenyl)pyrazol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is FNAJMBNVSNZDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O.ClH/c1-11-10-17-7-9-19(11)15(21)13-6-8-20(18-13)14-5-3-2-4-12(14)16;/h2-6,8,11,17H,7,9-10H2,1H3;1H.
What are the key properties of [1-(2-chlorophenyl)pyrazol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride?
[1-(2-chlorophenyl)pyrazol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 341.24 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)pyrazol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119472175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).