(E)-3-[5-(4-fluorophenyl)-3-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl]prop-2-en-1-ol

C20H20FN3O — CID 14851298

IUPAC(E)-3-[5-(4-fluorophenyl)-3-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl]prop-2-en-1-ol
SMILESCC(C)c1nn(-c2ccccn2)c(-c2ccc(F)cc2)c1/C=C/CO
InChIInChI=1S/C20H20FN3O/c1-14(2)19-17(6-5-13-25)20(15-8-10-16(21)11-9-15)24(23-19)18-7-3-4-12-22-18/h3-12,14,25H,13H2,1-2H3/b6-5+
InChIKeyCNYVXOYMGDZSDN-AATRIKPKSA-N
MW337.40 g/mol
LogP4.20
Rot. Bonds5

About (E)-3-[5-(4-fluorophenyl)-3-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl]prop-2-en-1-ol

(E)-3-[5-(4-fluorophenyl)-3-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl]prop-2-en-1-ol (PubChem CID 14851298) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is (E)-3-[5-(4-fluorophenyl)-3-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[5-(4-fluorophenyl)-3-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl]prop-2-en-1-ol
PubChem CID14851298
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name(E)-3-[5-(4-fluorophenyl)-3-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl]prop-2-en-1-ol
SMILESCC(C)c1nn(-c2ccccn2)c(-c2ccc(F)cc2)c1/C=C/CO
InChIInChI=1S/C20H20FN3O/c1-14(2)19-17(6-5-13-25)20(15-8-10-16(21)11-9-15)24(23-19)18-7-3-4-12-22-18/h3-12,14,25H,13H2,1-2H3/b6-5+
InChIKeyCNYVXOYMGDZSDN-AATRIKPKSA-N
XLogP4.20
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(4-fluorophenyl)-3-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[5-(4-fluorophenyl)-3-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl]prop-2-en-1-ol (CID 14851298) is (E)-3-[5-(4-fluorophenyl)-3-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[5-(4-fluorophenyl)-3-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[5-(4-fluorophenyl)-3-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl]prop-2-en-1-ol is CC(C)c1nn(-c2ccccn2)c(-c2ccc(F)cc2)c1/C=C/CO.
What is the InChIKey of (E)-3-[5-(4-fluorophenyl)-3-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl]prop-2-en-1-ol?
The InChIKey is CNYVXOYMGDZSDN-AATRIKPKSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-14(2)19-17(6-5-13-25)20(15-8-10-16(21)11-9-15)24(23-19)18-7-3-4-12-22-18/h3-12,14,25H,13H2,1-2H3/b6-5+.
What are the key properties of (E)-3-[5-(4-fluorophenyl)-3-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl]prop-2-en-1-ol?
(E)-3-[5-(4-fluorophenyl)-3-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl]prop-2-en-1-ol has a molecular weight of 337.40 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(4-fluorophenyl)-3-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl]prop-2-en-1-ol is sourced from PubChem (CID 14851298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).