(3R)-3-fluoro-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide

C16H19FN4O — CID 155514780

IUPAC(3R)-3-fluoro-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCn1ccc(-c2ccccc2)n1)N1CC[C@@H](F)C1
InChIInChI=1S/C16H19FN4O/c17-14-6-9-20(12-14)16(22)18-8-11-21-10-7-15(19-21)13-4-2-1-3-5-13/h1-5,7,10,14H,6,8-9,11-12H2,(H,18,22)/t14-/m1/s1
InChIKeyPCRVRINEUAYOAU-CQSZACIVSA-N
MW302.35 g/mol
LogP2.30
Rot. Bonds4

About (3R)-3-fluoro-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide

(3R)-3-fluoro-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 155514780) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is (3R)-3-fluoro-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-fluoro-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide
PubChem CID155514780
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name(3R)-3-fluoro-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCn1ccc(-c2ccccc2)n1)N1CC[C@@H](F)C1
InChIInChI=1S/C16H19FN4O/c17-14-6-9-20(12-14)16(22)18-8-11-21-10-7-15(19-21)13-4-2-1-3-5-13/h1-5,7,10,14H,6,8-9,11-12H2,(H,18,22)/t14-/m1/s1
InChIKeyPCRVRINEUAYOAU-CQSZACIVSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoro-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-fluoro-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide (CID 155514780) is (3R)-3-fluoro-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-fluoro-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-fluoro-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide is O=C(NCCn1ccc(-c2ccccc2)n1)N1CC[C@@H](F)C1.
What is the InChIKey of (3R)-3-fluoro-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is PCRVRINEUAYOAU-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19FN4O/c17-14-6-9-20(12-14)16(22)18-8-11-21-10-7-15(19-21)13-4-2-1-3-5-13/h1-5,7,10,14H,6,8-9,11-12H2,(H,18,22)/t14-/m1/s1.
What are the key properties of (3R)-3-fluoro-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide?
(3R)-3-fluoro-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 155514780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).