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

C15H19ClN2O3 — CID 114636385

IUPAC[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(methoxymethyl)phenyl]methanol
SMILESCOCCn1ncc(Cl)c1C(O)c1ccc(COC)cc1
InChIInChI=1S/C15H19ClN2O3/c1-20-8-7-18-14(13(16)9-17-18)15(19)12-5-3-11(4-6-12)10-21-2/h3-6,9,15,19H,7-8,10H2,1-2H3
InChIKeyHJRFVVKRGOLJCT-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.41
Rot. Bonds7

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

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(methoxymethyl)phenyl]methanol (PubChem CID 114636385) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(methoxymethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(methoxymethyl)phenyl]methanol
PubChem CID114636385
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(methoxymethyl)phenyl]methanol
SMILESCOCCn1ncc(Cl)c1C(O)c1ccc(COC)cc1
InChIInChI=1S/C15H19ClN2O3/c1-20-8-7-18-14(13(16)9-17-18)15(19)12-5-3-11(4-6-12)10-21-2/h3-6,9,15,19H,7-8,10H2,1-2H3
InChIKeyHJRFVVKRGOLJCT-UHFFFAOYSA-N
XLogP2.41
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-fluorophenyl)methanol
CID 114634599
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(6-chloro-3-pyridinyl)methanol
CID 114644952
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylsulfanylphenyl)methanol
CID 106848319
[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]-(4-ethylphenyl)methanamine
CID 114646633
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylphenyl)methanol
CID 114634869
[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]-(3-cyclopropylphenyl)methanol
CID 114636920
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,5-dimethylpyrazol-4-yl)methanol
CID 114636774
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]-[4-(methoxymethyl)phenyl]methanol?
The IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(methoxymethyl)phenyl]methanol (CID 114636385) is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(methoxymethyl)phenyl]methanol.
What is the SMILES notation for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(methoxymethyl)phenyl]methanol?
The canonical SMILES for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(methoxymethyl)phenyl]methanol is COCCn1ncc(Cl)c1C(O)c1ccc(COC)cc1.
What is the InChIKey of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(methoxymethyl)phenyl]methanol?
The InChIKey is HJRFVVKRGOLJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-20-8-7-18-14(13(16)9-17-18)15(19)12-5-3-11(4-6-12)10-21-2/h3-6,9,15,19H,7-8,10H2,1-2H3.
What are the key properties of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(methoxymethyl)phenyl]methanol?
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(methoxymethyl)phenyl]methanol has a molecular weight of 310.78 g/mol, XLogP of 2.41, 7 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]-[4-(methoxymethyl)phenyl]methanol is sourced from PubChem (CID 114636385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).