(1,5-dimethylpyrazol-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanol

C14H13FN2O2 — CID 114724197

IUPAC(1,5-dimethylpyrazol-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
SMILESCc1c(C(O)c2cc3cc(F)ccc3o2)cnn1C
InChIInChI=1S/C14H13FN2O2/c1-8-11(7-16-17(8)2)14(18)13-6-9-5-10(15)3-4-12(9)19-13/h3-7,14,18H,1-2H3
InChIKeyCUKWXJRJPBASGW-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.70
Rot. Bonds2

About (1,5-dimethylpyrazol-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanol

(1,5-dimethylpyrazol-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanol (PubChem CID 114724197) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
PubChem CID114724197
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name(1,5-dimethylpyrazol-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
SMILESCc1c(C(O)c2cc3cc(F)ccc3o2)cnn1C
InChIInChI=1S/C14H13FN2O2/c1-8-11(7-16-17(8)2)14(18)13-6-9-5-10(15)3-4-12(9)19-13/h3-7,14,18H,1-2H3
InChIKeyCUKWXJRJPBASGW-UHFFFAOYSA-N
XLogP2.70
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-amino-1-methylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114726654
(2,5-dimethylfuran-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 115836603
(2,5-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723613
(3,5-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol
CID 79584482
(5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114726422
(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol
CID 114727129
(5-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanol
CID 114724539
(5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-methylphenyl)methanol
CID 114726426
(1,5-dimethylpyrazol-4-yl)-(3-fluoro-5-methylphenyl)methanol
CID 79705223
(5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 114723636
(2,3-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723648
(5-fluoro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanol
CID 106756364

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanol?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanol (CID 114724197) is (1,5-dimethylpyrazol-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanol?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanol is Cc1c(C(O)c2cc3cc(F)ccc3o2)cnn1C.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanol?
The InChIKey is CUKWXJRJPBASGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-8-11(7-16-17(8)2)14(18)13-6-9-5-10(15)3-4-12(9)19-13/h3-7,14,18H,1-2H3.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanol?
(1,5-dimethylpyrazol-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanol has a molecular weight of 260.27 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 114724197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).