[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazol-3-yl]-pyrrolidin-1-ylmethanone

C19H17FN4O — CID 53033748

IUPAC[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(-c2ccncc2)n(-c2ccc(F)cc2)n1)N1CCCC1
InChIInChI=1S/C19H17FN4O/c20-15-3-5-16(6-4-15)24-18(14-7-9-21-10-8-14)13-17(22-24)19(25)23-11-1-2-12-23/h3-10,13H,1-2,11-12H2
InChIKeyLKOAHTYJLJMETD-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.31
Rot. Bonds3

About [1-(4-fluorophenyl)-5-pyridin-4-ylpyrazol-3-yl]-pyrrolidin-1-ylmethanone

[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazol-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 53033748) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-5-pyridin-4-ylpyrazol-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazol-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID53033748
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(-c2ccncc2)n(-c2ccc(F)cc2)n1)N1CCCC1
InChIInChI=1S/C19H17FN4O/c20-15-3-5-16(6-4-15)24-18(14-7-9-21-10-8-14)13-17(22-24)19(25)23-11-1-2-12-23/h3-10,13H,1-2,11-12H2
InChIKeyLKOAHTYJLJMETD-UHFFFAOYSA-N
XLogP3.31
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-5-pyridin-4-ylpyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(4-fluorophenyl)-5-pyridin-4-ylpyrazol-3-yl]-pyrrolidin-1-ylmethanone (CID 53033748) is [1-(4-fluorophenyl)-5-pyridin-4-ylpyrazol-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(4-fluorophenyl)-5-pyridin-4-ylpyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(4-fluorophenyl)-5-pyridin-4-ylpyrazol-3-yl]-pyrrolidin-1-ylmethanone is O=C(c1cc(-c2ccncc2)n(-c2ccc(F)cc2)n1)N1CCCC1.
What is the InChIKey of [1-(4-fluorophenyl)-5-pyridin-4-ylpyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is LKOAHTYJLJMETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c20-15-3-5-16(6-4-15)24-18(14-7-9-21-10-8-14)13-17(22-24)19(25)23-11-1-2-12-23/h3-10,13H,1-2,11-12H2.
What are the key properties of [1-(4-fluorophenyl)-5-pyridin-4-ylpyrazol-3-yl]-pyrrolidin-1-ylmethanone?
[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazol-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 336.37 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-5-pyridin-4-ylpyrazol-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53033748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).