1-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-N,N-dimethylpiperidine-4-carboxamide

C22H23ClN4O3 — CID 99177758

IUPAC1-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(C(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)CC1
InChIInChI=1S/C22H23ClN4O3/c1-25(2)21(28)15-8-10-26(11-9-15)22(29)18-14-19(20-7-4-12-30-20)27(24-18)17-6-3-5-16(23)13-17/h3-7,12-15H,8-11H2,1-2H3
InChIKeyJXBLXRKTUYWBST-UHFFFAOYSA-N
MW426.90 g/mol
LogP3.73
Rot. Bonds4

About 1-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-N,N-dimethylpiperidine-4-carboxamide

1-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 99177758) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-N,N-dimethylpiperidine-4-carboxamide
PubChem CID99177758
Molecular FormulaC22H23ClN4O3
Molecular Weight426.90 g/mol
Exact Mass426.15
IUPAC Name1-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(C(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)CC1
InChIInChI=1S/C22H23ClN4O3/c1-25(2)21(28)15-8-10-26(11-9-15)22(29)18-14-19(20-7-4-12-30-20)27(24-18)17-6-3-5-16(23)13-17/h3-7,12-15H,8-11H2,1-2H3
InChIKeyJXBLXRKTUYWBST-UHFFFAOYSA-N
XLogP3.73
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 86877598
[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119540653
[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38602656
(4-aminopiperidin-1-yl)-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]methanone;hydrochloride
CID 119376116
1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide
CID 56509601
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]methanone
CID 120807615
1-(3-chlorophenyl)-N,N-diethyl-5-(furan-2-yl)pyrazole-3-carboxamide
CID 34838039
1-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55815689
1-(3-chlorophenyl)-5-(furan-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-3-carboxamide
CID 55710038
[1-(3-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 1053517
[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-(4-methylidenepiperidin-1-yl)methanone
CID 56546941
1-[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxamide
CID 110678672

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-N,N-dimethylpiperidine-4-carboxamide (CID 99177758) is 1-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-N,N-dimethylpiperidine-4-carboxamide is CN(C)C(=O)C1CCN(C(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)CC1.
What is the InChIKey of 1-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is JXBLXRKTUYWBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c1-25(2)21(28)15-8-10-26(11-9-15)22(29)18-14-19(20-7-4-12-30-20)27(24-18)17-6-3-5-16(23)13-17/h3-7,12-15H,8-11H2,1-2H3.
What are the key properties of 1-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-N,N-dimethylpiperidine-4-carboxamide?
1-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 426.90 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 99177758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).