3-(3-fluoroanilino)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one

C19H17FN4O — CID 122515866

IUPAC3-(3-fluoroanilino)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
SMILESO=C1C(Nc2cccc(F)c2)CCN1c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C19H17FN4O/c20-15-2-1-3-16(10-15)23-18-8-9-24(19(18)25)17-6-4-13(5-7-17)14-11-21-22-12-14/h1-7,10-12,18,23H,8-9H2,(H,21,22)
InChIKeyUEDNNQYDDAIJTL-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.43
Rot. Bonds4

About 3-(3-fluoroanilino)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one

3-(3-fluoroanilino)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one (PubChem CID 122515866) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 3-(3-fluoroanilino)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(3-fluoroanilino)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
PubChem CID122515866
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name3-(3-fluoroanilino)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
SMILESO=C1C(Nc2cccc(F)c2)CCN1c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C19H17FN4O/c20-15-2-1-3-16(10-15)23-18-8-9-24(19(18)25)17-6-4-13(5-7-17)14-11-21-22-12-14/h1-7,10-12,18,23H,8-9H2,(H,21,22)
InChIKeyUEDNNQYDDAIJTL-UHFFFAOYSA-N
XLogP3.43
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoroanilino)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 3-(3-fluoroanilino)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one (CID 122515866) is 3-(3-fluoroanilino)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 3-(3-fluoroanilino)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 3-(3-fluoroanilino)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one is O=C1C(Nc2cccc(F)c2)CCN1c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 3-(3-fluoroanilino)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
The InChIKey is UEDNNQYDDAIJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c20-15-2-1-3-16(10-15)23-18-8-9-24(19(18)25)17-6-4-13(5-7-17)14-11-21-22-12-14/h1-7,10-12,18,23H,8-9H2,(H,21,22).
What are the key properties of 3-(3-fluoroanilino)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
3-(3-fluoroanilino)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one has a molecular weight of 336.37 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoroanilino)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 122515866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).