(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-4-methoxyphenyl)methanol

C14H17FN2O3 — CID 114636339

IUPAC(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-4-methoxyphenyl)methanol
SMILESCCn1ncc(OC)c1C(O)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H17FN2O3/c1-4-17-13(12(20-3)8-16-17)14(18)9-5-6-11(19-2)10(15)7-9/h5-8,14,18H,4H2,1-3H3
InChIKeyQGFRNFWDWZBHRS-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.14
Rot. Bonds5

About (1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-4-methoxyphenyl)methanol

(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-4-methoxyphenyl)methanol (PubChem CID 114636339) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is (1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-4-methoxyphenyl)methanol
PubChem CID114636339
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-4-methoxyphenyl)methanol
SMILESCCn1ncc(OC)c1C(O)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H17FN2O3/c1-4-17-13(12(20-3)8-16-17)14(18)9-5-6-11(19-2)10(15)7-9/h5-8,14,18H,4H2,1-3H3
InChIKeyQGFRNFWDWZBHRS-UHFFFAOYSA-N
XLogP2.14
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-ethyl-4-methoxypyrazol-5-yl)-pyridin-4-ylmethanol
CID 114634373
(3-bromo-4-chlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114638058
2,3-dihydro-1H-inden-5-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 115837075
(3,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 107978711
(3,5-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114635408
(3,4-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114646610
(5-bromo-2-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114634963
3-[(1-ethyl-4-methoxypyrazol-5-yl)-hydroxymethyl]benzonitrile
CID 114637583
(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol
CID 105130169
(2-chloro-6-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114634594
(4-chloro-2,5-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 115837195
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 105039950

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-4-methoxyphenyl)methanol?
The IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-4-methoxyphenyl)methanol (CID 114636339) is (1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-4-methoxyphenyl)methanol.
What is the SMILES notation for (1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-4-methoxyphenyl)methanol?
The canonical SMILES for (1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-4-methoxyphenyl)methanol is CCn1ncc(OC)c1C(O)c1ccc(OC)c(F)c1.
What is the InChIKey of (1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-4-methoxyphenyl)methanol?
The InChIKey is QGFRNFWDWZBHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-4-17-13(12(20-3)8-16-17)14(18)9-5-6-11(19-2)10(15)7-9/h5-8,14,18H,4H2,1-3H3.
What are the key properties of (1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-4-methoxyphenyl)methanol?
(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-4-methoxyphenyl)methanol has a molecular weight of 280.30 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-4-methoxyphenyl)methanol is sourced from PubChem (CID 114636339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).