[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone

C20H19FN4O — CID 74239837

IUPAC[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc(-c2ccccc2F)n[nH]1)N1CCCCC1c1cccnc1
InChIInChI=1S/C20H19FN4O/c21-16-8-2-1-7-15(16)17-12-18(24-23-17)20(26)25-11-4-3-9-19(25)14-6-5-10-22-13-14/h1-2,5-8,10,12-13,19H,3-4,9,11H2,(H,23,24)
InChIKeyBJLRCRNDUYODPV-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.98
Rot. Bonds3

About [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone

[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone (PubChem CID 74239837) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
PubChem CID74239837
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc(-c2ccccc2F)n[nH]1)N1CCCCC1c1cccnc1
InChIInChI=1S/C20H19FN4O/c21-16-8-2-1-7-15(16)17-12-18(24-23-17)20(26)25-11-4-3-9-19(25)14-6-5-10-22-13-14/h1-2,5-8,10,12-13,19H,3-4,9,11H2,(H,23,24)
InChIKeyBJLRCRNDUYODPV-UHFFFAOYSA-N
XLogP3.98
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The IUPAC name of [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone (CID 74239837) is [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone is O=C(c1cc(-c2ccccc2F)n[nH]1)N1CCCCC1c1cccnc1.
What is the InChIKey of [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The InChIKey is BJLRCRNDUYODPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c21-16-8-2-1-7-15(16)17-12-18(24-23-17)20(26)25-11-4-3-9-19(25)14-6-5-10-22-13-14/h1-2,5-8,10,12-13,19H,3-4,9,11H2,(H,23,24).
What are the key properties of [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone has a molecular weight of 350.40 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluorophenyl)-1H-pyrazol-5-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 74239837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).