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

C16H18F2N4O — CID 155523602

IUPAC(3R)-3-fluoro-N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCn1ccc(-c2ccc(F)cc2)n1)N1CC[C@@H](F)C1
InChIInChI=1S/C16H18F2N4O/c17-13-3-1-12(2-4-13)15-6-9-22(20-15)10-7-19-16(23)21-8-5-14(18)11-21/h1-4,6,9,14H,5,7-8,10-11H2,(H,19,23)/t14-/m1/s1
InChIKeyMXLRQASISRRBSG-CQSZACIVSA-N
MW320.34 g/mol
LogP2.44
Rot. Bonds4

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

(3R)-3-fluoro-N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide (PubChem CID 155523602) has the molecular formula C16H18F2N4O and a molecular weight of 320.34 g/mol. Its IUPAC name is (3R)-3-fluoro-N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-fluoro-N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide
PubChem CID155523602
Molecular FormulaC16H18F2N4O
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC Name(3R)-3-fluoro-N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCn1ccc(-c2ccc(F)cc2)n1)N1CC[C@@H](F)C1
InChIInChI=1S/C16H18F2N4O/c17-13-3-1-12(2-4-13)15-6-9-22(20-15)10-7-19-16(23)21-8-5-14(18)11-21/h1-4,6,9,14H,5,7-8,10-11H2,(H,19,23)/t14-/m1/s1
InChIKeyMXLRQASISRRBSG-CQSZACIVSA-N
XLogP2.44
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.44
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-(4-fluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-fluoro-N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide (CID 155523602) is (3R)-3-fluoro-N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-fluoro-N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-fluoro-N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide is O=C(NCCn1ccc(-c2ccc(F)cc2)n1)N1CC[C@@H](F)C1.
What is the InChIKey of (3R)-3-fluoro-N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide?
The InChIKey is MXLRQASISRRBSG-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18F2N4O/c17-13-3-1-12(2-4-13)15-6-9-22(20-15)10-7-19-16(23)21-8-5-14(18)11-21/h1-4,6,9,14H,5,7-8,10-11H2,(H,19,23)/t14-/m1/s1.
What are the key properties of (3R)-3-fluoro-N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide?
(3R)-3-fluoro-N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide has a molecular weight of 320.34 g/mol, XLogP of 2.44, 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-(4-fluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 155523602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).