1,3-dihydro-2-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanol

C13H14N2O2 — CID 115799051

IUPAC1,3-dihydro-2-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanol
SMILESCn1nccc1C(O)c1ccc2c(c1)COC2
InChIInChI=1S/C13H14N2O2/c1-15-12(4-5-14-15)13(16)9-2-3-10-7-17-8-11(10)6-9/h2-6,13,16H,7-8H2,1H3
InChIKeyNTDKHWFWTINRHW-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.53
Rot. Bonds2

About 1,3-dihydro-2-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanol

1,3-dihydro-2-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanol (PubChem CID 115799051) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanol
PubChem CID115799051
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1,3-dihydro-2-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanol
SMILESCn1nccc1C(O)c1ccc2c(c1)COC2
InChIInChI=1S/C13H14N2O2/c1-15-12(4-5-14-15)13(16)9-2-3-10-7-17-8-11(10)6-9/h2-6,13,16H,7-8H2,1H3
InChIKeyNTDKHWFWTINRHW-UHFFFAOYSA-N
XLogP1.53
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dihydro-2-benzofuran-5-yl(phenyl)methanol
CID 63019916
(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methanol
CID 63960732
(4-chlorophenyl)-(2-methylpyrazol-3-yl)methanol
CID 11550333
(4-chloro-3-fluorophenyl)-(2-methylpyrazol-3-yl)methanol
CID 63960937
[3-(difluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol
CID 115527836
1,3-dihydro-2-benzofuran-5-yl-(4-methyl-3-pyridinyl)methanol
CID 115817753
(4-ethylphenyl)-(2-methylpyrazol-3-yl)methanol
CID 63962198
1,3-dihydro-2-benzofuran-5-yl-(2-propylpyrazol-3-yl)methanamine
CID 115857588
furan-3-yl-(2-methylpyrazol-3-yl)methanol
CID 63960730
1-(1,3-dihydro-2-benzofuran-5-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115837988
(2-methylpyrazol-3-yl)-(4-propan-2-yloxyphenyl)methanol
CID 63961352
1,3-dihydro-2-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol
CID 63019197

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanol?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanol (CID 115799051) is 1,3-dihydro-2-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanol.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanol?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanol is Cn1nccc1C(O)c1ccc2c(c1)COC2.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanol?
The InChIKey is NTDKHWFWTINRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-15-12(4-5-14-15)13(16)9-2-3-10-7-17-8-11(10)6-9/h2-6,13,16H,7-8H2,1H3.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanol?
1,3-dihydro-2-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanol has a molecular weight of 230.27 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 115799051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).