1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide

C15H15FN4O2 — CID 47890813

IUPAC1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccn(-c3cccc(F)c3)n2)C1
InChIInChI=1S/C15H15FN4O2/c16-11-2-1-3-12(8-11)20-7-5-13(18-20)15(22)19-6-4-10(9-19)14(17)21/h1-3,5,7-8,10H,4,6,9H2,(H2,17,21)
InChIKeyHZBXXDGLJIBEKC-UHFFFAOYSA-N
MW302.31 g/mol
LogP0.96
Rot. Bonds3

About 1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide

1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide (PubChem CID 47890813) has the molecular formula C15H15FN4O2 and a molecular weight of 302.31 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide
PubChem CID47890813
Molecular FormulaC15H15FN4O2
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC Name1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccn(-c3cccc(F)c3)n2)C1
InChIInChI=1S/C15H15FN4O2/c16-11-2-1-3-12(8-11)20-7-5-13(18-20)15(22)19-6-4-10(9-19)14(17)21/h1-3,5,7-8,10H,4,6,9H2,(H2,17,21)
InChIKeyHZBXXDGLJIBEKC-UHFFFAOYSA-N
XLogP0.96
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide (CID 47890813) is 1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide is NC(=O)C1CCN(C(=O)c2ccn(-c3cccc(F)c3)n2)C1.
What is the InChIKey of 1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide?
The InChIKey is HZBXXDGLJIBEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2/c16-11-2-1-3-12(8-11)20-7-5-13(18-20)15(22)19-6-4-10(9-19)14(17)21/h1-3,5,7-8,10H,4,6,9H2,(H2,17,21).
What are the key properties of 1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide?
1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide has a molecular weight of 302.31 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 47890813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).