1-(5-fluoro-3-pyridinyl)-1-(2-propylpyrazol-3-yl)ethanol

C13H16FN3O — CID 114080715

IUPAC1-(5-fluoro-3-pyridinyl)-1-(2-propylpyrazol-3-yl)ethanol
SMILESCCCn1nccc1C(C)(O)c1cncc(F)c1
InChIInChI=1S/C13H16FN3O/c1-3-6-17-12(4-5-16-17)13(2,18)10-7-11(14)9-15-8-10/h4-5,7-9,18H,3,6H2,1-2H3
InChIKeyLFDCXIINSOMZFM-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.08
Rot. Bonds4

About 1-(5-fluoro-3-pyridinyl)-1-(2-propylpyrazol-3-yl)ethanol

1-(5-fluoro-3-pyridinyl)-1-(2-propylpyrazol-3-yl)ethanol (PubChem CID 114080715) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-1-(2-propylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-1-(2-propylpyrazol-3-yl)ethanol
PubChem CID114080715
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name1-(5-fluoro-3-pyridinyl)-1-(2-propylpyrazol-3-yl)ethanol
SMILESCCCn1nccc1C(C)(O)c1cncc(F)c1
InChIInChI=1S/C13H16FN3O/c1-3-6-17-12(4-5-16-17)13(2,18)10-7-11(14)9-15-8-10/h4-5,7-9,18H,3,6H2,1-2H3
InChIKeyLFDCXIINSOMZFM-UHFFFAOYSA-N
XLogP2.08
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)-1-(2-propylpyrazol-3-yl)ethanol
CID 63975243
3-[1-hydroxy-1-(2-propylpyrazol-3-yl)ethyl]benzonitrile
CID 115481322
1-(2-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanol
CID 63975033
4-(2-propylpyrazol-3-yl)heptan-4-ol
CID 114865852
1-(5-fluoro-3-pyridinyl)-1-phenylbutan-1-ol
CID 54966036
1-(2-fluorophenyl)-2-(2-propylpyrazol-3-yl)propan-2-ol
CID 114832710
2-amino-2-(5-fluoro-3-pyridinyl)propan-1-ol
CID 55292830
1-(5-fluoro-3-pyridinyl)-1-(3-methylthiophen-2-yl)ethanol
CID 63992110
2-methoxy-1-phenyl-1-(2-propylpyrazol-3-yl)ethanol
CID 103465225
1-(5-fluoro-3-pyridinyl)-1-(3-methoxy-2-pyridinyl)ethanol
CID 114080692
2-(5-fluoro-3-pyridinyl)-1-(methylamino)propan-2-ol
CID 66039605
(4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol
CID 105128541

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-1-(2-propylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-1-(2-propylpyrazol-3-yl)ethanol (CID 114080715) is 1-(5-fluoro-3-pyridinyl)-1-(2-propylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-1-(2-propylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-1-(2-propylpyrazol-3-yl)ethanol is CCCn1nccc1C(C)(O)c1cncc(F)c1.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-1-(2-propylpyrazol-3-yl)ethanol?
The InChIKey is LFDCXIINSOMZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-3-6-17-12(4-5-16-17)13(2,18)10-7-11(14)9-15-8-10/h4-5,7-9,18H,3,6H2,1-2H3.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-1-(2-propylpyrazol-3-yl)ethanol?
1-(5-fluoro-3-pyridinyl)-1-(2-propylpyrazol-3-yl)ethanol has a molecular weight of 249.29 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)-1-(2-propylpyrazol-3-yl)ethanol is sourced from PubChem (CID 114080715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).