[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methanol

C18H18N2O2 — CID 2496576

IUPAC[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methanol
SMILESCOc1cccc(-c2nn(Cc3ccccc3)cc2CO)c1
InChIInChI=1S/C18H18N2O2/c1-22-17-9-5-8-15(10-17)18-16(13-21)12-20(19-18)11-14-6-3-2-4-7-14/h2-10,12,21H,11,13H2,1H3
InChIKeyDRORXPKWRSRKQX-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.10
Rot. Bonds5

About [1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methanol

[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methanol (PubChem CID 2496576) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is [1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methanol
PubChem CID2496576
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methanol
SMILESCOc1cccc(-c2nn(Cc3ccccc3)cc2CO)c1
InChIInChI=1S/C18H18N2O2/c1-22-17-9-5-8-15(10-17)18-16(13-21)12-20(19-18)11-14-6-3-2-4-7-14/h2-10,12,21H,11,13H2,1H3
InChIKeyDRORXPKWRSRKQX-UHFFFAOYSA-N
XLogP3.10
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol
CID 882911
3-(3-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 2377173
(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl](4-fluoro-3-methoxyphenyl)methanol
CID 10478173
(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl](3,4-difluoro-5-methoxyphenyl)methanol
CID 11305564
(NE)-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 6894322
(3-(2,3-Dihydro-1,4-benzodioxin-6-YL)-1-phenyl-1H-pyrazol-4-YL)methanol
CID 2060907
(1S)-1-[(4aR,5S)-1-(4-methoxyphenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]ethanol
CID 164621667
2-(3-{2-[(4-fluorobenzyl)oxy]phenyl}-1H-pyrazol-1-yl)-1-ethanol
CID 1485523
3-[1-benzyl-3-(2-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid
CID 2526129
1-benzyl-3-(3-methoxyphenyl)-1H-pyrazole-4-carboxylic acid
CID 2608796
(NE)-N-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 6898261
[1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-methoxybenzyl)piperidin-4-yl]methanol
CID 16188468

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methanol?
The IUPAC name of [1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methanol (CID 2496576) is [1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methanol is COc1cccc(-c2nn(Cc3ccccc3)cc2CO)c1.
What is the InChIKey of [1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methanol?
The InChIKey is DRORXPKWRSRKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-22-17-9-5-8-15(10-17)18-16(13-21)12-20(19-18)11-14-6-3-2-4-7-14/h2-10,12,21H,11,13H2,1H3.
What are the key properties of [1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methanol?
[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methanol has a molecular weight of 294.35 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 2496576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).