1-benzyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride

C20H29ClN4O — CID 119557582

IUPAC1-benzyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
SMILESCCc1c(C(=O)NCCC2CCCNC2)cnn1Cc1ccccc1.Cl
InChIInChI=1S/C20H28N4O.ClH/c1-2-19-18(14-23-24(19)15-17-7-4-3-5-8-17)20(25)22-12-10-16-9-6-11-21-13-16;/h3-5,7-8,14,16,21H,2,6,9-13,15H2,1H3,(H,22,25);1H
InChIKeyIIMSMMOPVMLCRQ-UHFFFAOYSA-N
MW376.93 g/mol
LogP3.04
Rot. Bonds7

About 1-benzyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride

1-benzyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 119557582) has the molecular formula C20H29ClN4O and a molecular weight of 376.93 g/mol. Its IUPAC name is 1-benzyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-benzyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
PubChem CID119557582
Molecular FormulaC20H29ClN4O
Molecular Weight376.93 g/mol
Exact Mass376.20
IUPAC Name1-benzyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
SMILESCCc1c(C(=O)NCCC2CCCNC2)cnn1Cc1ccccc1.Cl
InChIInChI=1S/C20H28N4O.ClH/c1-2-19-18(14-23-24(19)15-17-7-4-3-5-8-17)20(25)22-12-10-16-9-6-11-21-13-16;/h3-5,7-8,14,16,21H,2,6,9-13,15H2,1H3,(H,22,25);1H
InChIKeyIIMSMMOPVMLCRQ-UHFFFAOYSA-N
XLogP3.04
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide
CID 119557093
1-tert-butyl-5-ethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
CID 119535618
1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide
CID 78874188
1-benzyl-5-methyl-N-piperidin-3-ylpyrazole-4-carboxamide
CID 119428406
2-(2-phenylethyl)-N-(2-piperidin-3-ylethyl)benzamide
CID 119557940
1-benzyl-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide
CID 78874296
1-benzyl-5-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 78902129
1-benzyl-5-ethyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 120601726
2-phenyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide;hydrochloride
CID 119558694
2,5-dimethyl-1-phenyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride
CID 119554950
1-benzyl-5-ethyl-N-(2-phenoxyethyl)pyrazole-4-carboxamide
CID 78873047
5-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-carboxamide
CID 119558985

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-benzyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride (CID 119557582) is 1-benzyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-benzyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-benzyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride is CCc1c(C(=O)NCCC2CCCNC2)cnn1Cc1ccccc1.Cl.
What is the InChIKey of 1-benzyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is IIMSMMOPVMLCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O.ClH/c1-2-19-18(14-23-24(19)15-17-7-4-3-5-8-17)20(25)22-12-10-16-9-6-11-21-13-16;/h3-5,7-8,14,16,21H,2,6,9-13,15H2,1H3,(H,22,25);1H.
What are the key properties of 1-benzyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride?
1-benzyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 376.93 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119557582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).