1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide

C14H13FN4O2 — CID 168698208

IUPAC1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cc(-c3ccc(F)cc3)[nH]n2)C1
InChIInChI=1S/C14H13FN4O2/c15-10-3-1-8(2-4-10)11-6-12(18-17-11)19-7-9(14(16)21)5-13(19)20/h1-4,6,9H,5,7H2,(H2,16,21)(H,17,18)
InChIKeyOARUXPYZBQUNLA-UHFFFAOYSA-N
MW288.28 g/mol
LogP1.05
Rot. Bonds3

About 1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide

1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 168698208) has the molecular formula C14H13FN4O2 and a molecular weight of 288.28 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID168698208
Molecular FormulaC14H13FN4O2
Molecular Weight288.28 g/mol
Exact Mass288.10
IUPAC Name1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cc(-c3ccc(F)cc3)[nH]n2)C1
InChIInChI=1S/C14H13FN4O2/c15-10-3-1-8(2-4-10)11-6-12(18-17-11)19-7-9(14(16)21)5-13(19)20/h1-4,6,9H,5,7H2,(H2,16,21)(H,17,18)
InChIKeyOARUXPYZBQUNLA-UHFFFAOYSA-N
XLogP1.05
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663927
4-(chloromethyl)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168509279
1-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168697887
4-chloro-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168688095
4-(hydroxymethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168662640
4-(aminomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168659810
5-oxo-1-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 168697904
1-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-5-oxopyrrolidine-3-carboxamide
CID 50881711
methyl 1-[5-(3-chlorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylate
CID 168695091
1-(3,5-dichloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697899
1-(2-amino-4,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698300
1-(2,3-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698402

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (CID 168698208) is 1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2cc(-c3ccc(F)cc3)[nH]n2)C1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OARUXPYZBQUNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2/c15-10-3-1-8(2-4-10)11-6-12(18-17-11)19-7-9(14(16)21)5-13(19)20/h1-4,6,9H,5,7H2,(H2,16,21)(H,17,18).
What are the key properties of 1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 288.28 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168698208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).