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

C14H17ClN2O2 — CID 114634869

IUPAC[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylphenyl)methanol
SMILESCOCCn1ncc(Cl)c1C(O)c1ccccc1C
InChIInChI=1S/C14H17ClN2O2/c1-10-5-3-4-6-11(10)14(18)13-12(15)9-16-17(13)7-8-19-2/h3-6,9,14,18H,7-8H2,1-2H3
InChIKeyLENFRIYPLQDHGV-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.57
Rot. Bonds5

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

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylphenyl)methanol (PubChem CID 114634869) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylphenyl)methanol.

Molecular Properties

Compound Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylphenyl)methanol
PubChem CID114634869
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylphenyl)methanol
SMILESCOCCn1ncc(Cl)c1C(O)c1ccccc1C
InChIInChI=1S/C14H17ClN2O2/c1-10-5-3-4-6-11(10)14(18)13-12(15)9-16-17(13)7-8-19-2/h3-6,9,14,18H,7-8H2,1-2H3
InChIKeyLENFRIYPLQDHGV-UHFFFAOYSA-N
XLogP2.57
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-ethoxyphenyl)methanol
CID 114634109
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-fluoro-2-methylphenyl)methanol
CID 114635371
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,5-dimethylpyrazol-4-yl)methanol
CID 114636774
(5-amino-1H-pyrazol-4-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 114643980
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-methoxy-4-methylphenyl)methanol
CID 115839458
(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]-(4-fluorophenyl)methanol
CID 114634599
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dimethyl-2-pyridinyl)methanol
CID 114645430
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105054570
1-benzofuran-2-yl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 114635082
(2-bromo-5-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 115839430

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylphenyl)methanol?
The IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylphenyl)methanol (CID 114634869) is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylphenyl)methanol.
What is the SMILES notation for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylphenyl)methanol?
The canonical SMILES for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylphenyl)methanol is COCCn1ncc(Cl)c1C(O)c1ccccc1C.
What is the InChIKey of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylphenyl)methanol?
The InChIKey is LENFRIYPLQDHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-10-5-3-4-6-11(10)14(18)13-12(15)9-16-17(13)7-8-19-2/h3-6,9,14,18H,7-8H2,1-2H3.
What are the key properties of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylphenyl)methanol?
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylphenyl)methanol has a molecular weight of 280.75 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylphenyl)methanol is sourced from PubChem (CID 114634869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).