[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methanol

C12H13ClN2O2 — CID 54961991

IUPAC[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methanol
SMILESOCc1cc(Cl)ccc1OCCn1cccn1
InChIInChI=1S/C12H13ClN2O2/c13-11-2-3-12(10(8-11)9-16)17-7-6-15-5-1-4-14-15/h1-5,8,16H,6-7,9H2
InChIKeyWUWUSFTWKSUHQC-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.11
Rot. Bonds5

About [5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methanol

[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methanol (PubChem CID 54961991) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is [5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methanol
PubChem CID54961991
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methanol
SMILESOCc1cc(Cl)ccc1OCCn1cccn1
InChIInChI=1S/C12H13ClN2O2/c13-11-2-3-12(10(8-11)9-16)17-7-6-15-5-1-4-14-15/h1-5,8,16H,6-7,9H2
InChIKeyWUWUSFTWKSUHQC-UHFFFAOYSA-N
XLogP2.11
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 61491520
N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 61491521
[6-(2-pyrazol-1-ylethoxy)-1,3-benzodioxol-5-yl]methanol
CID 55013145
[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol
CID 114528338
[4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanol
CID 63320707
2-[4-chloro-2-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]phenoxy]acetic acid
CID 77080664
[5-chloro-2-(3-ethoxypropoxy)phenyl]methanol
CID 65175257
[5-chloro-2-(4-methoxybutoxy)phenyl]methanol
CID 104647989
[5-chloro-2-(3-phenylpropoxy)phenyl]methanol
CID 43324882
[5-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]boronic acid
CID 54962304
[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methanol
CID 61485306
N-[[3-fluoro-4-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine
CID 107686809

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methanol?
The IUPAC name of [5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methanol (CID 54961991) is [5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methanol.
What is the SMILES notation for [5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methanol?
The canonical SMILES for [5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methanol is OCc1cc(Cl)ccc1OCCn1cccn1.
What is the InChIKey of [5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methanol?
The InChIKey is WUWUSFTWKSUHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c13-11-2-3-12(10(8-11)9-16)17-7-6-15-5-1-4-14-15/h1-5,8,16H,6-7,9H2.
What are the key properties of [5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methanol?
[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methanol has a molecular weight of 252.70 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methanol is sourced from PubChem (CID 54961991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).