1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide

C21H17ClN4O2 — CID 1053520

IUPAC1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
SMILESO=C(NCCc1ccccn1)c1cc(-c2ccco2)nn1-c1cccc(Cl)c1
InChIInChI=1S/C21H17ClN4O2/c22-15-5-3-7-17(13-15)26-19(14-18(25-26)20-8-4-12-28-20)21(27)24-11-9-16-6-1-2-10-23-16/h1-8,10,12-14H,9,11H2,(H,24,27)
InChIKeyNKUSNJNHRZMSHS-UHFFFAOYSA-N
MW392.85 g/mol
LogP4.15
Rot. Bonds6

About 1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide

1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide (PubChem CID 1053520) has the molecular formula C21H17ClN4O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
PubChem CID1053520
Molecular FormulaC21H17ClN4O2
Molecular Weight392.85 g/mol
Exact Mass392.10
IUPAC Name1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
SMILESO=C(NCCc1ccccn1)c1cc(-c2ccco2)nn1-c1cccc(Cl)c1
InChIInChI=1S/C21H17ClN4O2/c22-15-5-3-7-17(13-15)26-19(14-18(25-26)20-8-4-12-28-20)21(27)24-11-9-16-6-1-2-10-23-16/h1-8,10,12-14H,9,11H2,(H,24,27)
InChIKeyNKUSNJNHRZMSHS-UHFFFAOYSA-N
XLogP4.15
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-yl)-1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 5041268
1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 1053514
1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 771691
1-(3-chlorophenyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 1053527
N-[2-(2,4-dichlorophenyl)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 4309486
1-(3,4-dichlorophenyl)-3-(furan-2-yl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 1053539
N-[(2R)-butan-2-yl]-1-(3-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 771696
1-(3-chlorophenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
CID 3389223
1-(3-chlorophenyl)-5-(furan-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 25333179
3-(furan-2-yl)-1-(3-methylphenyl)-N-propylpyrazole-5-carboxamide
CID 3661667
1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 5013344
N-butyl-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 3946312

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide (CID 1053520) is 1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide is O=C(NCCc1ccccn1)c1cc(-c2ccco2)nn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide?
The InChIKey is NKUSNJNHRZMSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2/c22-15-5-3-7-17(13-15)26-19(14-18(25-26)20-8-4-12-28-20)21(27)24-11-9-16-6-1-2-10-23-16/h1-8,10,12-14H,9,11H2,(H,24,27).
What are the key properties of 1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide?
1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide has a molecular weight of 392.85 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 1053520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).