[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dimethyl-2-pyridinyl)methanol

C14H18ClN3O2 — CID 114645430

IUPAC[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dimethyl-2-pyridinyl)methanol
SMILESCOCCn1ncc(Cl)c1C(O)c1ncc(C)cc1C
InChIInChI=1S/C14H18ClN3O2/c1-9-6-10(2)12(16-7-9)14(19)13-11(15)8-17-18(13)4-5-20-3/h6-8,14,19H,4-5H2,1-3H3
InChIKeyWVGBKKSAEVURMT-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.28
Rot. Bonds5

About [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dimethyl-2-pyridinyl)methanol

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dimethyl-2-pyridinyl)methanol (PubChem CID 114645430) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dimethyl-2-pyridinyl)methanol.

Molecular Properties

Compound Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dimethyl-2-pyridinyl)methanol
PubChem CID114645430
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dimethyl-2-pyridinyl)methanol
SMILESCOCCn1ncc(Cl)c1C(O)c1ncc(C)cc1C
InChIInChI=1S/C14H18ClN3O2/c1-9-6-10(2)12(16-7-9)14(19)13-11(15)8-17-18(13)4-5-20-3/h6-8,14,19H,4-5H2,1-3H3
InChIKeyWVGBKKSAEVURMT-UHFFFAOYSA-N
XLogP2.28
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-methoxy-4-methylphenyl)methanol
CID 115839458
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,5-dimethylpyrazol-4-yl)methanol
CID 114636774
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylphenyl)methanol
CID 114634869
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-fluoro-2-methylphenyl)methanol
CID 114635371
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxythiophen-2-yl)methanol
CID 115839360
(4-bromo-3-methylphenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 114637324
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(6-chloro-3-pyridinyl)methanol
CID 114644952
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-pyrazin-2-ylmethanol
CID 114643021
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-2,6-difluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 115839349
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3,4-dimethylphenyl)ethanol
CID 114643482

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dimethyl-2-pyridinyl)methanol?
The IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dimethyl-2-pyridinyl)methanol (CID 114645430) is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dimethyl-2-pyridinyl)methanol.
What is the SMILES notation for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dimethyl-2-pyridinyl)methanol?
The canonical SMILES for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dimethyl-2-pyridinyl)methanol is COCCn1ncc(Cl)c1C(O)c1ncc(C)cc1C.
What is the InChIKey of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dimethyl-2-pyridinyl)methanol?
The InChIKey is WVGBKKSAEVURMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-9-6-10(2)12(16-7-9)14(19)13-11(15)8-17-18(13)4-5-20-3/h6-8,14,19H,4-5H2,1-3H3.
What are the key properties of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dimethyl-2-pyridinyl)methanol?
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dimethyl-2-pyridinyl)methanol has a molecular weight of 295.77 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dimethyl-2-pyridinyl)methanol is sourced from PubChem (CID 114645430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).