[1-(3-chlorophenyl)pyrazol-3-yl]-(2,3-dimethylpiperazin-1-yl)methanone

C16H19ClN4O — CID 120572924

IUPAC[1-(3-chlorophenyl)pyrazol-3-yl]-(2,3-dimethylpiperazin-1-yl)methanone
SMILESCC1NCCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)C1C
InChIInChI=1S/C16H19ClN4O/c1-11-12(2)20(9-7-18-11)16(22)15-6-8-21(19-15)14-5-3-4-13(17)10-14/h3-6,8,10-12,18H,7,9H2,1-2H3
InChIKeyMQABGMXTYMLVOK-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.35
Rot. Bonds2

About [1-(3-chlorophenyl)pyrazol-3-yl]-(2,3-dimethylpiperazin-1-yl)methanone

[1-(3-chlorophenyl)pyrazol-3-yl]-(2,3-dimethylpiperazin-1-yl)methanone (PubChem CID 120572924) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is [1-(3-chlorophenyl)pyrazol-3-yl]-(2,3-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3-chlorophenyl)pyrazol-3-yl]-(2,3-dimethylpiperazin-1-yl)methanone
PubChem CID120572924
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name[1-(3-chlorophenyl)pyrazol-3-yl]-(2,3-dimethylpiperazin-1-yl)methanone
SMILESCC1NCCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)C1C
InChIInChI=1S/C16H19ClN4O/c1-11-12(2)20(9-7-18-11)16(22)15-6-8-21(19-15)14-5-3-4-13(17)10-14/h3-6,8,10-12,18H,7,9H2,1-2H3
InChIKeyMQABGMXTYMLVOK-UHFFFAOYSA-N
XLogP2.35
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-dimethylpiperazin-1-yl)-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone
CID 120572934
(2,3-dimethylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 120572200
(3R)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-3-carboxylic acid
CID 125153701
[2-(aminomethyl)piperidin-1-yl]-[1-(3-chlorophenyl)pyrazol-3-yl]methanone
CID 119467359
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(3-chlorophenyl)pyrazol-3-yl]methanone;hydrochloride
CID 120660118
(2R,3R)-1-[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 122115846
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3-chlorophenyl)pyrazol-3-yl]methanone;hydrochloride
CID 120820060
[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119518136
1-(3-chlorophenyl)-N-cyclopropyl-N-(4-methylcyclohexyl)pyrazole-3-carboxamide
CID 55924760
(3S)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide
CID 95149478
2-[(3-chlorophenyl)methylsulfanyl]-1-(2,3-dimethylpiperazin-1-yl)ethanone;hydrochloride
CID 120570751
[1-(3-bromophenyl)pyrazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 120572468

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)pyrazol-3-yl]-(2,3-dimethylpiperazin-1-yl)methanone?
The IUPAC name of [1-(3-chlorophenyl)pyrazol-3-yl]-(2,3-dimethylpiperazin-1-yl)methanone (CID 120572924) is [1-(3-chlorophenyl)pyrazol-3-yl]-(2,3-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(3-chlorophenyl)pyrazol-3-yl]-(2,3-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(3-chlorophenyl)pyrazol-3-yl]-(2,3-dimethylpiperazin-1-yl)methanone is CC1NCCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)C1C.
What is the InChIKey of [1-(3-chlorophenyl)pyrazol-3-yl]-(2,3-dimethylpiperazin-1-yl)methanone?
The InChIKey is MQABGMXTYMLVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-11-12(2)20(9-7-18-11)16(22)15-6-8-21(19-15)14-5-3-4-13(17)10-14/h3-6,8,10-12,18H,7,9H2,1-2H3.
What are the key properties of [1-(3-chlorophenyl)pyrazol-3-yl]-(2,3-dimethylpiperazin-1-yl)methanone?
[1-(3-chlorophenyl)pyrazol-3-yl]-(2,3-dimethylpiperazin-1-yl)methanone has a molecular weight of 318.81 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)pyrazol-3-yl]-(2,3-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 120572924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).