4-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-3-methylpiperazin-2-one

C19H17ClN4O3 — CID 126767001

IUPAC4-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H17ClN4O3/c1-12-18(25)21-8-9-23(12)19(26)15-11-16(17-3-2-10-27-17)24(22-15)14-6-4-13(20)5-7-14/h2-7,10-12H,8-9H2,1H3,(H,21,25)
InChIKeyLBJJHHOCMRURRF-UHFFFAOYSA-N
MW384.82 g/mol
LogP2.75
Rot. Bonds3

About 4-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-3-methylpiperazin-2-one

4-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-3-methylpiperazin-2-one (PubChem CID 126767001) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-3-methylpiperazin-2-one
PubChem CID126767001
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC Name4-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H17ClN4O3/c1-12-18(25)21-8-9-23(12)19(26)15-11-16(17-3-2-10-27-17)24(22-15)14-6-4-13(20)5-7-14/h2-7,10-12H,8-9H2,1H3,(H,21,25)
InChIKeyLBJJHHOCMRURRF-UHFFFAOYSA-N
XLogP2.75
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]methanone
CID 124692748
(3R)-4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-3-methylpiperazin-2-one
CID 95703001
(4-aminopiperidin-1-yl)-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]methanone;hydrochloride
CID 119376116
[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-(4-methylidenepiperidin-1-yl)methanone
CID 56546941
1-(4-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-phenylpyrazole-3-carboxamide
CID 52554012
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)pyrazol-3-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 86877598
1-(4-chlorophenyl)-5-(furan-2-yl)-3-methylpyrazole
CID 126681545
1-(3,4-dichlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid
CID 29269124
1-(4-chlorophenyl)-5-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 24631709
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide
CID 112811290
1-(4-chlorophenyl)-5-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 30391460

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-3-methylpiperazin-2-one?
The IUPAC name of 4-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-3-methylpiperazin-2-one (CID 126767001) is 4-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-3-methylpiperazin-2-one?
The canonical SMILES for 4-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-3-methylpiperazin-2-one is CC1C(=O)NCCN1C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-3-methylpiperazin-2-one?
The InChIKey is LBJJHHOCMRURRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c1-12-18(25)21-8-9-23(12)19(26)15-11-16(17-3-2-10-27-17)24(22-15)14-6-4-13(20)5-7-14/h2-7,10-12H,8-9H2,1H3,(H,21,25).
What are the key properties of 4-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-3-methylpiperazin-2-one?
4-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-3-methylpiperazin-2-one has a molecular weight of 384.82 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 126767001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).