2-(4-methylphenyl)-3-oxo-N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride

C17H24ClN5O2 — CID 119448604

IUPAC2-(4-methylphenyl)-3-oxo-N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCc1ccc(-n2[nH]c(C(=O)NCCN3CCNCC3)cc2=O)cc1.Cl
InChIInChI=1S/C17H23N5O2.ClH/c1-13-2-4-14(5-3-13)22-16(23)12-15(20-22)17(24)19-8-11-21-9-6-18-7-10-21;/h2-5,12,18,20H,6-11H2,1H3,(H,19,24);1H
InChIKeyCIGZLCYEQVNEEQ-UHFFFAOYSA-N
MW365.87 g/mol
LogP0.53
Rot. Bonds5

About 2-(4-methylphenyl)-3-oxo-N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride

2-(4-methylphenyl)-3-oxo-N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride (PubChem CID 119448604) has the molecular formula C17H24ClN5O2 and a molecular weight of 365.87 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-oxo-N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-oxo-N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride
PubChem CID119448604
Molecular FormulaC17H24ClN5O2
Molecular Weight365.87 g/mol
Exact Mass365.16
IUPAC Name2-(4-methylphenyl)-3-oxo-N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCc1ccc(-n2[nH]c(C(=O)NCCN3CCNCC3)cc2=O)cc1.Cl
InChIInChI=1S/C17H23N5O2.ClH/c1-13-2-4-14(5-3-13)22-16(23)12-15(20-22)17(24)19-8-11-21-9-6-18-7-10-21;/h2-5,12,18,20H,6-11H2,1H3,(H,19,24);1H
InChIKeyCIGZLCYEQVNEEQ-UHFFFAOYSA-N
XLogP0.53
TPSA82.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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1-[(4-methylphenyl)methyl]-3-(2-piperazin-1-ylethyl)urea
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2-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
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2-(2,5-dimethylphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 62537843
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CID 119164452
N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119446239
2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119446180
2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide;hydrochloride
CID 119447776
5-methyl-4-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-2-carboxamide
CID 138533305
3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81471524

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-oxo-N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride?
The IUPAC name of 2-(4-methylphenyl)-3-oxo-N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride (CID 119448604) is 2-(4-methylphenyl)-3-oxo-N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-(4-methylphenyl)-3-oxo-N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for 2-(4-methylphenyl)-3-oxo-N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride is Cc1ccc(-n2[nH]c(C(=O)NCCN3CCNCC3)cc2=O)cc1.Cl.
What is the InChIKey of 2-(4-methylphenyl)-3-oxo-N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride?
The InChIKey is CIGZLCYEQVNEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2.ClH/c1-13-2-4-14(5-3-13)22-16(23)12-15(20-22)17(24)19-8-11-21-9-6-18-7-10-21;/h2-5,12,18,20H,6-11H2,1H3,(H,19,24);1H.
What are the key properties of 2-(4-methylphenyl)-3-oxo-N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride?
2-(4-methylphenyl)-3-oxo-N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride has a molecular weight of 365.87 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-oxo-N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119448604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).