5-chloro-1-(4-fluorophenyl)-3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide

C18H20ClFN4O2 — CID 51187032

IUPAC5-chloro-1-(4-fluorophenyl)-3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NCCC(=O)N1CCCC1
InChIInChI=1S/C18H20ClFN4O2/c1-12-16(17(19)24(22-12)14-6-4-13(20)5-7-14)18(26)21-9-8-15(25)23-10-2-3-11-23/h4-7H,2-3,8-11H2,1H3,(H,21,26)
InChIKeyUTOVPHDOFTUXOF-UHFFFAOYSA-N
MW378.84 g/mol
LogP2.72
Rot. Bonds5

About 5-chloro-1-(4-fluorophenyl)-3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide

5-chloro-1-(4-fluorophenyl)-3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide (PubChem CID 51187032) has the molecular formula C18H20ClFN4O2 and a molecular weight of 378.84 g/mol. Its IUPAC name is 5-chloro-1-(4-fluorophenyl)-3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-(4-fluorophenyl)-3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide
PubChem CID51187032
Molecular FormulaC18H20ClFN4O2
Molecular Weight378.84 g/mol
Exact Mass378.13
IUPAC Name5-chloro-1-(4-fluorophenyl)-3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NCCC(=O)N1CCCC1
InChIInChI=1S/C18H20ClFN4O2/c1-12-16(17(19)24(22-12)14-6-4-13(20)5-7-14)18(26)21-9-8-15(25)23-10-2-3-11-23/h4-7H,2-3,8-11H2,1H3,(H,21,26)
InChIKeyUTOVPHDOFTUXOF-UHFFFAOYSA-N
XLogP2.72
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
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N-[4-(4-benzylpiperazin-1-yl)butyl]-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
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5-chloro-N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
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CID 30823116
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CID 55613537
5-chloro-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide
CID 27649949
5-chloro-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 55664571
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-fluorophenyl)-3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-(4-fluorophenyl)-3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide (CID 51187032) is 5-chloro-1-(4-fluorophenyl)-3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-(4-fluorophenyl)-3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-(4-fluorophenyl)-3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide is Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NCCC(=O)N1CCCC1.
What is the InChIKey of 5-chloro-1-(4-fluorophenyl)-3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide?
The InChIKey is UTOVPHDOFTUXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN4O2/c1-12-16(17(19)24(22-12)14-6-4-13(20)5-7-14)18(26)21-9-8-15(25)23-10-2-3-11-23/h4-7H,2-3,8-11H2,1H3,(H,21,26).
What are the key properties of 5-chloro-1-(4-fluorophenyl)-3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide?
5-chloro-1-(4-fluorophenyl)-3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide has a molecular weight of 378.84 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-fluorophenyl)-3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 51187032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).