1-benzyl-3-(4-methoxyphenyl)-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride

C23H27ClN4O2 — CID 119424422

IUPAC1-benzyl-3-(4-methoxyphenyl)-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride
SMILESCOc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NC2CCCNC2)cc1.Cl
InChIInChI=1S/C23H26N4O2.ClH/c1-29-20-11-9-18(10-12-20)22-21(23(28)25-19-8-5-13-24-14-19)16-27(26-22)15-17-6-3-2-4-7-17;/h2-4,6-7,9-12,16,19,24H,5,8,13-15H2,1H3,(H,25,28);1H
InChIKeyCSBAWMBGQZBRBS-UHFFFAOYSA-N
MW426.95 g/mol
LogP3.51
Rot. Bonds6

About 1-benzyl-3-(4-methoxyphenyl)-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride

1-benzyl-3-(4-methoxyphenyl)-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119424422) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is 1-benzyl-3-(4-methoxyphenyl)-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-benzyl-3-(4-methoxyphenyl)-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride
PubChem CID119424422
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC Name1-benzyl-3-(4-methoxyphenyl)-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride
SMILESCOc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NC2CCCNC2)cc1.Cl
InChIInChI=1S/C23H26N4O2.ClH/c1-29-20-11-9-18(10-12-20)22-21(23(28)25-19-8-5-13-24-14-19)16-27(26-22)15-17-6-3-2-4-7-17;/h2-4,6-7,9-12,16,19,24H,5,8,13-15H2,1H3,(H,25,28);1H
InChIKeyCSBAWMBGQZBRBS-UHFFFAOYSA-N
XLogP3.51
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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[1-benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]-piperazin-1-ylmethanone;hydrochloride
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ethyl N-[2-[[1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate
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(3-aminopiperidin-1-yl)-[1-benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]methanone;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-methoxyphenyl)-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-benzyl-3-(4-methoxyphenyl)-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride (CID 119424422) is 1-benzyl-3-(4-methoxyphenyl)-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-benzyl-3-(4-methoxyphenyl)-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-benzyl-3-(4-methoxyphenyl)-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride is COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NC2CCCNC2)cc1.Cl.
What is the InChIKey of 1-benzyl-3-(4-methoxyphenyl)-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is CSBAWMBGQZBRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2.ClH/c1-29-20-11-9-18(10-12-20)22-21(23(28)25-19-8-5-13-24-14-19)16-27(26-22)15-17-6-3-2-4-7-17;/h2-4,6-7,9-12,16,19,24H,5,8,13-15H2,1H3,(H,25,28);1H.
What are the key properties of 1-benzyl-3-(4-methoxyphenyl)-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride?
1-benzyl-3-(4-methoxyphenyl)-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 426.95 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-methoxyphenyl)-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119424422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).