(7-chloro-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanol

C14H13ClN2O2 — CID 114724689

IUPAC(7-chloro-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanol
SMILESCc1nn(C)cc1C(O)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C14H13ClN2O2/c1-8-10(7-17(2)16-8)13(18)12-6-9-4-3-5-11(15)14(9)19-12/h3-7,13,18H,1-2H3
InChIKeyMEIVYILRJINPPE-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.21
Rot. Bonds2

About (7-chloro-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanol

(7-chloro-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanol (PubChem CID 114724689) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is (7-chloro-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(7-chloro-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanol
PubChem CID114724689
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name(7-chloro-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanol
SMILESCc1nn(C)cc1C(O)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C14H13ClN2O2/c1-8-10(7-17(2)16-8)13(18)12-6-9-4-3-5-11(15)14(9)19-12/h3-7,13,18H,1-2H3
InChIKeyMEIVYILRJINPPE-UHFFFAOYSA-N
XLogP3.21
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methylphenyl)methanol
CID 115837454
(7-chloro-1-benzofuran-2-yl)-(2-methoxyphenyl)methanol
CID 114723264
(2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723415
(7-chloro-1-benzofuran-2-yl)-(2-chloro-3-fluorophenyl)methanol
CID 115837553
(7-chloro-1-benzofuran-2-yl)-(6-methyl-3-pyridinyl)methanol
CID 114724795
(7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanol
CID 115837576
(7-chloro-1-benzofuran-2-yl)-(3-ethyl-4-pyridinyl)methanol
CID 114727190
(1,3-dimethylpyrazol-4-yl)-(furan-2-yl)methanol
CID 83090044
1-(7-chloro-1-benzofuran-2-yl)-2-methylpropan-1-ol
CID 65426322
(5-bromo-2-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114723276
(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114723321
(7-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanol
CID 103408290

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanol?
The IUPAC name of (7-chloro-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanol (CID 114724689) is (7-chloro-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanol.
What is the SMILES notation for (7-chloro-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanol?
The canonical SMILES for (7-chloro-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanol is Cc1nn(C)cc1C(O)c1cc2cccc(Cl)c2o1.
What is the InChIKey of (7-chloro-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanol?
The InChIKey is MEIVYILRJINPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-8-10(7-17(2)16-8)13(18)12-6-9-4-3-5-11(15)14(9)19-12/h3-7,13,18H,1-2H3.
What are the key properties of (7-chloro-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanol?
(7-chloro-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanol has a molecular weight of 276.72 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanol is sourced from PubChem (CID 114724689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).