[3-[4-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methanol

C13H16N2O3 — CID 54847305

IUPAC[3-[4-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methanol
SMILESCOCCOc1ccc(-c2cc(CO)[nH]n2)cc1
InChIInChI=1S/C13H16N2O3/c1-17-6-7-18-12-4-2-10(3-5-12)13-8-11(9-16)14-15-13/h2-5,8,16H,6-7,9H2,1H3,(H,14,15)
InChIKeyQFRMSENZRAKBPA-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.59
Rot. Bonds6

About [3-[4-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methanol

[3-[4-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methanol (PubChem CID 54847305) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is [3-[4-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[4-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methanol
PubChem CID54847305
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name[3-[4-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methanol
SMILESCOCCOc1ccc(-c2cc(CO)[nH]n2)cc1
InChIInChI=1S/C13H16N2O3/c1-17-6-7-18-12-4-2-10(3-5-12)13-8-11(9-16)14-15-13/h2-5,8,16H,6-7,9H2,1H3,(H,14,15)
InChIKeyQFRMSENZRAKBPA-UHFFFAOYSA-N
XLogP1.59
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[4-(2-methoxyethoxy)phenyl]methyl]-1H-pyrazol-3-amine
CID 90156722
1-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]-N-methylmethanamine
CID 54847503
[3-(3-chloro-4-methoxyphenyl)-1H-pyrazol-5-yl]methanol
CID 82049211
N-methyl-1-[3-(4-pentoxyphenyl)-1H-pyrazol-5-yl]methanamine
CID 54847474
5-(chloromethyl)-3-(4-methoxyphenyl)-1H-pyrazole
CID 75528285
[3-[4-(2-phenylethoxy)phenyl]-1H-pyrazol-5-yl]methanamine
CID 54847277
N-methyl-1-[3-[4-(3-phenylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine
CID 54847044
2-[[3-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
CID 54852939
4-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]aniline
CID 54853247
6-[4-(2-methoxyethoxy)phenyl]pyridazin-3-amine
CID 96662586
6-[4-(2-methoxyethoxy)phenyl]-N-methylpyrimidin-4-amine
CID 98016972
1-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782

Frequently Asked Questions

What is the IUPAC name of [3-[4-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methanol?
The IUPAC name of [3-[4-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methanol (CID 54847305) is [3-[4-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methanol.
What is the SMILES notation for [3-[4-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methanol?
The canonical SMILES for [3-[4-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methanol is COCCOc1ccc(-c2cc(CO)[nH]n2)cc1.
What is the InChIKey of [3-[4-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methanol?
The InChIKey is QFRMSENZRAKBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-17-6-7-18-12-4-2-10(3-5-12)13-8-11(9-16)14-15-13/h2-5,8,16H,6-7,9H2,1H3,(H,14,15).
What are the key properties of [3-[4-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methanol?
[3-[4-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methanol has a molecular weight of 248.28 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methanol is sourced from PubChem (CID 54847305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).