[3-(3-chloro-4-methoxyphenyl)-1H-pyrazol-5-yl]methanol

C11H11ClN2O2 — CID 82049211

IUPAC[3-(3-chloro-4-methoxyphenyl)-1H-pyrazol-5-yl]methanol
SMILESCOc1ccc(-c2cc(CO)[nH]n2)cc1Cl
InChIInChI=1S/C11H11ClN2O2/c1-16-11-3-2-7(4-9(11)12)10-5-8(6-15)13-14-10/h2-5,15H,6H2,1H3,(H,13,14)
InChIKeyVWLATYSTAJKMSA-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.23
Rot. Bonds3

About [3-(3-chloro-4-methoxyphenyl)-1H-pyrazol-5-yl]methanol

[3-(3-chloro-4-methoxyphenyl)-1H-pyrazol-5-yl]methanol (PubChem CID 82049211) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is [3-(3-chloro-4-methoxyphenyl)-1H-pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(3-chloro-4-methoxyphenyl)-1H-pyrazol-5-yl]methanol
PubChem CID82049211
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name[3-(3-chloro-4-methoxyphenyl)-1H-pyrazol-5-yl]methanol
SMILESCOc1ccc(-c2cc(CO)[nH]n2)cc1Cl
InChIInChI=1S/C11H11ClN2O2/c1-16-11-3-2-7(4-9(11)12)10-5-8(6-15)13-14-10/h2-5,15H,6H2,1H3,(H,13,14)
InChIKeyVWLATYSTAJKMSA-UHFFFAOYSA-N
XLogP2.23
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]methanol
CID 65022073
6-(3-chloro-4-methoxyphenyl)-2-ethyl-4-(hydroxymethyl)pyridazin-3-one
CID 82445230
5-(1-aminoethyl)-3-(3-chloro-4-methoxyphenyl)-1H-pyridazin-6-one
CID 82446359
2-[4-[3-(3-chloro-4-methoxyphenyl)-1H-pyrazol-5-yl]phenyl]sulfonylethyl acetate
CID 70300159
[3-[4-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methanol
CID 54847305
3-(3-chloro-4-methoxyphenyl)-5-[(cyclopropylamino)methyl]-1H-pyridazin-6-one
CID 82446346
3-(3-chloro-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazole
CID 58913514
[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol
CID 116867349
1-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 5162652
4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazole
CID 82128057
[5-bromo-2-(3-chloro-4-methoxyphenyl)-1-methylimidazol-4-yl]methanol
CID 84609235
2-[3-(3-chloro-4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 82481625

Frequently Asked Questions

What is the IUPAC name of [3-(3-chloro-4-methoxyphenyl)-1H-pyrazol-5-yl]methanol?
The IUPAC name of [3-(3-chloro-4-methoxyphenyl)-1H-pyrazol-5-yl]methanol (CID 82049211) is [3-(3-chloro-4-methoxyphenyl)-1H-pyrazol-5-yl]methanol.
What is the SMILES notation for [3-(3-chloro-4-methoxyphenyl)-1H-pyrazol-5-yl]methanol?
The canonical SMILES for [3-(3-chloro-4-methoxyphenyl)-1H-pyrazol-5-yl]methanol is COc1ccc(-c2cc(CO)[nH]n2)cc1Cl.
What is the InChIKey of [3-(3-chloro-4-methoxyphenyl)-1H-pyrazol-5-yl]methanol?
The InChIKey is VWLATYSTAJKMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-16-11-3-2-7(4-9(11)12)10-5-8(6-15)13-14-10/h2-5,15H,6H2,1H3,(H,13,14).
What are the key properties of [3-(3-chloro-4-methoxyphenyl)-1H-pyrazol-5-yl]methanol?
[3-(3-chloro-4-methoxyphenyl)-1H-pyrazol-5-yl]methanol has a molecular weight of 238.67 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chloro-4-methoxyphenyl)-1H-pyrazol-5-yl]methanol is sourced from PubChem (CID 82049211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).