N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide

C16H19FN4O — CID 155534967

IUPACN-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCn1ccc(-c2ccc(F)cc2)n1)N1CCCC1
InChIInChI=1S/C16H19FN4O/c17-14-5-3-13(4-6-14)15-7-11-21(19-15)12-8-18-16(22)20-9-1-2-10-20/h3-7,11H,1-2,8-10,12H2,(H,18,22)
InChIKeyIWJDIQIAINBLEN-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.49
Rot. Bonds4

About N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide

N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide (PubChem CID 155534967) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide
PubChem CID155534967
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC NameN-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCn1ccc(-c2ccc(F)cc2)n1)N1CCCC1
InChIInChI=1S/C16H19FN4O/c17-14-5-3-13(4-6-14)15-7-11-21(19-15)12-8-18-16(22)20-9-1-2-10-20/h3-7,11H,1-2,8-10,12H2,(H,18,22)
InChIKeyIWJDIQIAINBLEN-UHFFFAOYSA-N
XLogP2.49
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide (CID 155534967) is N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide is O=C(NCCn1ccc(-c2ccc(F)cc2)n1)N1CCCC1.
What is the InChIKey of N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide?
The InChIKey is IWJDIQIAINBLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c17-14-5-3-13(4-6-14)15-7-11-21(19-15)12-8-18-16(22)20-9-1-2-10-20/h3-7,11H,1-2,8-10,12H2,(H,18,22).
What are the key properties of N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide?
N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 155534967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).