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

C21H23ClN4O2 — CID 56509601

IUPAC1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide
SMILESCN(CCN1CCCC1)C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C21H23ClN4O2/c1-24(11-12-25-9-2-3-10-25)21(27)18-15-19(20-8-5-13-28-20)26(23-18)17-7-4-6-16(22)14-17/h4-8,13-15H,2-3,9-12H2,1H3
InChIKeyUTKHVZJXFZLJND-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.95
Rot. Bonds6

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

1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide (PubChem CID 56509601) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide
PubChem CID56509601
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Name1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide
SMILESCN(CCN1CCCC1)C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C21H23ClN4O2/c1-24(11-12-25-9-2-3-10-25)21(27)18-15-19(20-8-5-13-28-20)26(23-18)17-7-4-6-16(22)14-17/h4-8,13-15H,2-3,9-12H2,1H3
InChIKeyUTKHVZJXFZLJND-UHFFFAOYSA-N
XLogP3.95
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-N,N-diethyl-5-(furan-2-yl)pyrazole-3-carboxamide
CID 34838039
1-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-N,N-dimethylpiperidine-4-carboxamide
CID 99177758
1-(3-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazole-3-carboxamide
CID 49395004
1-(3-chlorophenyl)-5-(furan-2-yl)-N-prop-2-enylpyrazole-3-carboxamide
CID 32738812
5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide
CID 56509594
N-[2-(tert-butylamino)-2-oxoethyl]-1-(3-chlorophenyl)-N-ethyl-5-(furan-2-yl)pyrazole-3-carboxamide
CID 55522244
[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 86877598
1-(3-chlorophenyl)-5-(furan-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-3-carboxamide
CID 55710038
1-(4-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-phenylpyrazole-3-carboxamide
CID 52554012
1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazole-3-carboxamide
CID 55551382
1-(3-chlorophenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide
CID 47086851
methyl 4-[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]butanoate
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide (CID 56509601) is 1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide is CN(CCN1CCCC1)C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide?
The InChIKey is UTKHVZJXFZLJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c1-24(11-12-25-9-2-3-10-25)21(27)18-15-19(20-8-5-13-28-20)26(23-18)17-7-4-6-16(22)14-17/h4-8,13-15H,2-3,9-12H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide?
1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide has a molecular weight of 398.89 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 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-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 56509601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).