2-[5-cyclopropyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol

C19H18FN3O — CID 22037601

IUPAC2-[5-cyclopropyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol
SMILESOCCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1C1CC1
InChIInChI=1S/C19H18FN3O/c20-16-5-3-14(4-6-16)18-17(13-7-9-21-10-8-13)19(15-1-2-15)23(22-18)11-12-24/h3-10,15,24H,1-2,11-12H2
InChIKeyJKPDCTTVEQKKRB-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.62
Rot. Bonds5

About 2-[5-cyclopropyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol

2-[5-cyclopropyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol (PubChem CID 22037601) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol
PubChem CID22037601
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name2-[5-cyclopropyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol
SMILESOCCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1C1CC1
InChIInChI=1S/C19H18FN3O/c20-16-5-3-14(4-6-16)18-17(13-7-9-21-10-8-13)19(15-1-2-15)23(22-18)11-12-24/h3-10,15,24H,1-2,11-12H2
InChIKeyJKPDCTTVEQKKRB-UHFFFAOYSA-N
XLogP3.62
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-cyclopropyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol (CID 22037601) is 2-[5-cyclopropyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-cyclopropyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-cyclopropyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol is OCCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1C1CC1.
What is the InChIKey of 2-[5-cyclopropyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol?
The InChIKey is JKPDCTTVEQKKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c20-16-5-3-14(4-6-16)18-17(13-7-9-21-10-8-13)19(15-1-2-15)23(22-18)11-12-24/h3-10,15,24H,1-2,11-12H2.
What are the key properties of 2-[5-cyclopropyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol?
2-[5-cyclopropyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol has a molecular weight of 323.37 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol is sourced from PubChem (CID 22037601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).