1-(4-chlorophenyl)-3-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide;hydrochloride

C17H23Cl2N5O — CID 119447036

IUPAC1-(4-chlorophenyl)-3-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide;hydrochloride
SMILESCc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCCN1CCNCC1.Cl
InChIInChI=1S/C17H22ClN5O.ClH/c1-13-16(12-23(21-13)15-4-2-14(18)3-5-15)17(24)20-8-11-22-9-6-19-7-10-22;/h2-5,12,19H,6-11H2,1H3,(H,20,24);1H
InChIKeyFMNBLUUSCFJZTQ-UHFFFAOYSA-N
MW384.31 g/mol
LogP1.89
Rot. Bonds5

About 1-(4-chlorophenyl)-3-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide;hydrochloride

1-(4-chlorophenyl)-3-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 119447036) has the molecular formula C17H23Cl2N5O and a molecular weight of 384.31 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide;hydrochloride
PubChem CID119447036
Molecular FormulaC17H23Cl2N5O
Molecular Weight384.31 g/mol
Exact Mass383.13
IUPAC Name1-(4-chlorophenyl)-3-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide;hydrochloride
SMILESCc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCCN1CCNCC1.Cl
InChIInChI=1S/C17H22ClN5O.ClH/c1-13-16(12-23(21-13)15-4-2-14(18)3-5-15)17(24)20-8-11-22-9-6-19-7-10-22;/h2-5,12,19H,6-11H2,1H3,(H,20,24);1H
InChIKeyFMNBLUUSCFJZTQ-UHFFFAOYSA-N
XLogP1.89
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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6-[[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]amino]hexanoic acid
CID 119352202
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CID 119445625
2-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 106862040
5-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119447808
1-(4-chlorophenyl)-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
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5-chloro-N-(2-piperazin-1-ylethyl)-2-propoxybenzamide
CID 119445271
1-(4-fluorophenyl)-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide
CID 119446091
2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide;hydrochloride
CID 119447776
5-acetamido-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-(4-chlorophenyl)-3-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide;hydrochloride (CID 119447036) is 1-(4-chlorophenyl)-3-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-chlorophenyl)-3-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-chlorophenyl)-3-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide;hydrochloride is Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCCN1CCNCC1.Cl.
What is the InChIKey of 1-(4-chlorophenyl)-3-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is FMNBLUUSCFJZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O.ClH/c1-13-16(12-23(21-13)15-4-2-14(18)3-5-15)17(24)20-8-11-22-9-6-19-7-10-22;/h2-5,12,19H,6-11H2,1H3,(H,20,24);1H.
What are the key properties of 1-(4-chlorophenyl)-3-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide;hydrochloride?
1-(4-chlorophenyl)-3-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 384.31 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119447036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).