5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazole-4-carboxamide

C21H31N5O — CID 134034900

IUPAC5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCCN2CCN(C)CC2)cnn1-c1ccc(C)cc1
InChIInChI=1S/C21H31N5O/c1-4-20-19(16-23-26(20)18-8-6-17(2)7-9-18)21(27)22-10-5-11-25-14-12-24(3)13-15-25/h6-9,16H,4-5,10-15H2,1-3H3,(H,22,27)
InChIKeyHBMMXPIWMZUILF-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.11
Rot. Bonds7

About 5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazole-4-carboxamide

5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazole-4-carboxamide (PubChem CID 134034900) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is 5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazole-4-carboxamide
PubChem CID134034900
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Name5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCCN2CCN(C)CC2)cnn1-c1ccc(C)cc1
InChIInChI=1S/C21H31N5O/c1-4-20-19(16-23-26(20)18-8-6-17(2)7-9-18)21(27)22-10-5-11-25-14-12-24(3)13-15-25/h6-9,16H,4-5,10-15H2,1-3H3,(H,22,27)
InChIKeyHBMMXPIWMZUILF-UHFFFAOYSA-N
XLogP2.11
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrazole-4-carboxamide
CID 30837416
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 55631633
5-ethyl-N-(3-hydroxypropyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 78854292
tert-butyl 4-[3-[(5-ethyl-1-phenylpyrazole-4-carbonyl)amino]propyl]piperazine-1-carboxylate
CID 55866016
5-ethyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55660071
5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide
CID 46584156
N-(3-aminopropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119406144
5-ethyl-N-(4-methylcyclohexyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 46582332
5-ethyl-N-(2-methylsulfonylethyl)-1-phenylpyrazole-4-carboxamide
CID 60545454
N-[2-(azepan-1-yl)ethyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55613253
N-[3-(4-methylpiperazin-1-yl)propyl]-1-(4-nitrophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053303
N-(3-ethoxypropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 31889145

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazole-4-carboxamide (CID 134034900) is 5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazole-4-carboxamide is CCc1c(C(=O)NCCCN2CCN(C)CC2)cnn1-c1ccc(C)cc1.
What is the InChIKey of 5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazole-4-carboxamide?
The InChIKey is HBMMXPIWMZUILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c1-4-20-19(16-23-26(20)18-8-6-17(2)7-9-18)21(27)22-10-5-11-25-14-12-24(3)13-15-25/h6-9,16H,4-5,10-15H2,1-3H3,(H,22,27).
What are the key properties of 5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazole-4-carboxamide?
5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazole-4-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazole-4-carboxamide is sourced from PubChem (CID 134034900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).