[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-pyrazin-2-ylmethanol

C11H13ClN4O2 — CID 114643021

IUPAC[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-pyrazin-2-ylmethanol
SMILESCOCCn1ncc(Cl)c1C(O)c1cnccn1
InChIInChI=1S/C11H13ClN4O2/c1-18-5-4-16-10(8(12)6-15-16)11(17)9-7-13-2-3-14-9/h2-3,6-7,11,17H,4-5H2,1H3
InChIKeyWKZRJYWLZBETOY-UHFFFAOYSA-N
MW268.70 g/mol
LogP1.05
Rot. Bonds5

About [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-pyrazin-2-ylmethanol

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-pyrazin-2-ylmethanol (PubChem CID 114643021) has the molecular formula C11H13ClN4O2 and a molecular weight of 268.70 g/mol. Its IUPAC name is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-pyrazin-2-ylmethanol.

Molecular Properties

Compound Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-pyrazin-2-ylmethanol
PubChem CID114643021
Molecular FormulaC11H13ClN4O2
Molecular Weight268.70 g/mol
Exact Mass268.07
IUPAC Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-pyrazin-2-ylmethanol
SMILESCOCCn1ncc(Cl)c1C(O)c1cnccn1
InChIInChI=1S/C11H13ClN4O2/c1-18-5-4-16-10(8(12)6-15-16)11(17)9-7-13-2-3-14-9/h2-3,6-7,11,17H,4-5H2,1H3
InChIKeyWKZRJYWLZBETOY-UHFFFAOYSA-N
XLogP1.05
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(thiadiazol-4-yl)methanol
CID 105132660
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(6-chloro-3-pyridinyl)methanol
CID 114644952
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-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,5-dimethylpyrazol-4-yl)methanol
CID 114636774
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dimethyl-2-pyridinyl)methanol
CID 114645430
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylphenyl)methanol
CID 114634869
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(methoxymethyl)phenyl]methanol
CID 114636385
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-ethoxyphenyl)methanol
CID 114634109
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopropylethanol
CID 114644981
(4-chloro-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanol
CID 114635773
(4-bromo-2,6-difluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 115839349

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-pyrazin-2-ylmethanol?
The IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-pyrazin-2-ylmethanol (CID 114643021) is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-pyrazin-2-ylmethanol.
What is the SMILES notation for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-pyrazin-2-ylmethanol?
The canonical SMILES for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-pyrazin-2-ylmethanol is COCCn1ncc(Cl)c1C(O)c1cnccn1.
What is the InChIKey of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-pyrazin-2-ylmethanol?
The InChIKey is WKZRJYWLZBETOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2/c1-18-5-4-16-10(8(12)6-15-16)11(17)9-7-13-2-3-14-9/h2-3,6-7,11,17H,4-5H2,1H3.
What are the key properties of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-pyrazin-2-ylmethanol?
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-pyrazin-2-ylmethanol has a molecular weight of 268.70 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-pyrazin-2-ylmethanol is sourced from PubChem (CID 114643021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).