5-chloro-1-(4-fluorophenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpyrazole-4-carboxamide

C22H20ClFN4O3 — CID 55657030

IUPAC5-chloro-1-(4-fluorophenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1N1CCCC1=O
InChIInChI=1S/C22H20ClFN4O3/c1-13-20(21(23)28(26-13)16-8-5-14(24)6-9-16)22(30)25-15-7-10-18(31-2)17(12-15)27-11-3-4-19(27)29/h5-10,12H,3-4,11H2,1-2H3,(H,25,30)
InChIKeyACFMTMCIJPCYRZ-UHFFFAOYSA-N
MW442.88 g/mol
LogP4.36
Rot. Bonds5

About 5-chloro-1-(4-fluorophenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpyrazole-4-carboxamide

5-chloro-1-(4-fluorophenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpyrazole-4-carboxamide (PubChem CID 55657030) has the molecular formula C22H20ClFN4O3 and a molecular weight of 442.88 g/mol. Its IUPAC name is 5-chloro-1-(4-fluorophenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-(4-fluorophenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpyrazole-4-carboxamide
PubChem CID55657030
Molecular FormulaC22H20ClFN4O3
Molecular Weight442.88 g/mol
Exact Mass442.12
IUPAC Name5-chloro-1-(4-fluorophenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1N1CCCC1=O
InChIInChI=1S/C22H20ClFN4O3/c1-13-20(21(23)28(26-13)16-8-5-14(24)6-9-16)22(30)25-15-7-10-18(31-2)17(12-15)27-11-3-4-19(27)29/h5-10,12H,3-4,11H2,1-2H3,(H,25,30)
InChIKeyACFMTMCIJPCYRZ-UHFFFAOYSA-N
XLogP4.36
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.88
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 26245553
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CID 42396765
3,4-dichloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687099
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87046164
N-(4-acetamidophenyl)-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 8701464
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CID 134016397
5-chloro-1-(4-fluorophenyl)-3-methyl-N-pyridin-4-ylpyrazole-4-carboxamide
CID 27699924
3,5-dimethoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687052
3-chloro-6-fluoro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 55691945
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 35389984
1-(4-fluorophenyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 55560730
2,6-difluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-fluorophenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-(4-fluorophenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpyrazole-4-carboxamide (CID 55657030) is 5-chloro-1-(4-fluorophenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-(4-fluorophenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-(4-fluorophenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpyrazole-4-carboxamide is COc1ccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1N1CCCC1=O.
What is the InChIKey of 5-chloro-1-(4-fluorophenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpyrazole-4-carboxamide?
The InChIKey is ACFMTMCIJPCYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN4O3/c1-13-20(21(23)28(26-13)16-8-5-14(24)6-9-16)22(30)25-15-7-10-18(31-2)17(12-15)27-11-3-4-19(27)29/h5-10,12H,3-4,11H2,1-2H3,(H,25,30).
What are the key properties of 5-chloro-1-(4-fluorophenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpyrazole-4-carboxamide?
5-chloro-1-(4-fluorophenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpyrazole-4-carboxamide has a molecular weight of 442.88 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-fluorophenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 55657030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).