1-benzofuran-2-yl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol

C15H15ClN2O3 — CID 114635082

IUPAC1-benzofuran-2-yl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
SMILESCOCCn1ncc(Cl)c1C(O)c1cc2ccccc2o1
InChIInChI=1S/C15H15ClN2O3/c1-20-7-6-18-14(11(16)9-17-18)15(19)13-8-10-4-2-3-5-12(10)21-13/h2-5,8-9,15,19H,6-7H2,1H3
InChIKeyWQMFVTCNHZACAP-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.01
Rot. Bonds5

About 1-benzofuran-2-yl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol

1-benzofuran-2-yl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol (PubChem CID 114635082) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol.

Molecular Properties

Compound Name1-benzofuran-2-yl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
PubChem CID114635082
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name1-benzofuran-2-yl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
SMILESCOCCn1ncc(Cl)c1C(O)c1cc2ccccc2o1
InChIInChI=1S/C15H15ClN2O3/c1-20-7-6-18-14(11(16)9-17-18)15(19)13-8-10-4-2-3-5-12(10)21-13/h2-5,8-9,15,19H,6-7H2,1H3
InChIKeyWQMFVTCNHZACAP-UHFFFAOYSA-N
XLogP3.01
TPSA60.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-ethoxyphenyl)methanol
CID 114634109
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropan-1-ol
CID 114634657
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-fluorophenyl)methanol
CID 114634599
(4-bromo-3-methylphenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 114637324
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-cyclopropylphenyl)methanol
CID 114636920
(4-bromo-2,6-difluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 115839349
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dimethyl-2-pyridinyl)methanol
CID 114645430
(2-bromo-5-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 115839430
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(2-methoxyethoxy)propan-1-ol
CID 102927629
1-benzofuran-2-yl-(4-bromo-1-methylpyrazol-5-yl)methanol
CID 114635081
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-methylphenyl)ethanol
CID 114643232
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxythiophen-2-yl)methanol
CID 115839360

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol?
The IUPAC name of 1-benzofuran-2-yl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol (CID 114635082) is 1-benzofuran-2-yl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol.
What is the SMILES notation for 1-benzofuran-2-yl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol?
The canonical SMILES for 1-benzofuran-2-yl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol is COCCn1ncc(Cl)c1C(O)c1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-yl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol?
The InChIKey is WQMFVTCNHZACAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-20-7-6-18-14(11(16)9-17-18)15(19)13-8-10-4-2-3-5-12(10)21-13/h2-5,8-9,15,19H,6-7H2,1H3.
What are the key properties of 1-benzofuran-2-yl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol?
1-benzofuran-2-yl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol has a molecular weight of 306.75 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol is sourced from PubChem (CID 114635082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).