1-(3-chlorophenyl)-5-(furan-2-yl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride

C20H22Cl2N4O2 — CID 119462462

IUPAC1-(3-chlorophenyl)-5-(furan-2-yl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C20H21ClN4O2.ClH/c21-15-5-1-6-16(10-15)25-18(19-7-3-9-27-19)11-17(24-25)20(26)23-13-14-4-2-8-22-12-14;/h1,3,5-7,9-11,14,22H,2,4,8,12-13H2,(H,23,26);1H
InChIKeyXDBDEPCSUCWIOH-UHFFFAOYSA-N
MW421.33 g/mol
LogP3.94
Rot. Bonds5

About 1-(3-chlorophenyl)-5-(furan-2-yl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride

1-(3-chlorophenyl)-5-(furan-2-yl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride (PubChem CID 119462462) has the molecular formula C20H22Cl2N4O2 and a molecular weight of 421.33 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-(furan-2-yl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-(furan-2-yl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride
PubChem CID119462462
Molecular FormulaC20H22Cl2N4O2
Molecular Weight421.33 g/mol
Exact Mass420.11
IUPAC Name1-(3-chlorophenyl)-5-(furan-2-yl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C20H21ClN4O2.ClH/c21-15-5-1-6-16(10-15)25-18(19-7-3-9-27-19)11-17(24-25)20(26)23-13-14-4-2-8-22-12-14;/h1,3,5-7,9-11,14,22H,2,4,8,12-13H2,(H,23,26);1H
InChIKeyXDBDEPCSUCWIOH-UHFFFAOYSA-N
XLogP3.94
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.33
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride
CID 119461402
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
CID 119457602
1-(3-chlorophenyl)-5-(furan-2-yl)-N-(6-oxopiperidin-3-yl)pyrazole-3-carboxamide
CID 60616941
1-(3-chlorophenyl)-5-(furan-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 25333179
methyl 4-[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]butanoate
CID 32614568
[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119540653
N-(3-acetamidophenyl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
CID 55514182
1-(4-chlorophenyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide
CID 55805611
methyl N-[4-[[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate
CID 55845539
1-(3-chlorophenyl)-N'-(2,5-dimethylfuran-3-carbonyl)-5-(furan-2-yl)pyrazole-3-carbohydrazide
CID 32617649
1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide
CID 56509601
[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 86877598

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-(furan-2-yl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-(3-chlorophenyl)-5-(furan-2-yl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride (CID 119462462) is 1-(3-chlorophenyl)-5-(furan-2-yl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-chlorophenyl)-5-(furan-2-yl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-chlorophenyl)-5-(furan-2-yl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride is Cl.O=C(NCC1CCCNC1)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-5-(furan-2-yl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride?
The InChIKey is XDBDEPCSUCWIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2.ClH/c21-15-5-1-6-16(10-15)25-18(19-7-3-9-27-19)11-17(24-25)20(26)23-13-14-4-2-8-22-12-14;/h1,3,5-7,9-11,14,22H,2,4,8,12-13H2,(H,23,26);1H.
What are the key properties of 1-(3-chlorophenyl)-5-(furan-2-yl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride?
1-(3-chlorophenyl)-5-(furan-2-yl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride has a molecular weight of 421.33 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-(furan-2-yl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119462462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).