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

C17H16N2O2 — CID 977051

IUPAC[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methanol
SMILESCOC1=CC=CC(=C1)C2=NN(C=C2CO)C3=CC=CC=C3
InChIInChI=1S/C17H16N2O2/c1-21-16-9-5-6-13(10-16)17-14(12-20)11-19(18-17)15-7-3-2-4-8-15/h2-11,20H,12H2,1H3
InChIKeyTWXRCUSQKZDYOY-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.60
Rot. Bonds4

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

[3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol (PubChem CID 977051) has the molecular formula C17H16N2O2 and a molecular weight of 280.32 g/mol. Its IUPAC name is [3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol
PubChem CID977051
Molecular FormulaC17H16N2O2
Molecular Weight280.32 g/mol
Exact Mass280.12
IUPAC Name[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methanol
SMILESCOC1=CC=CC(=C1)C2=NN(C=C2CO)C3=CC=CC=C3
InChIInChI=1S/C17H16N2O2/c1-21-16-9-5-6-13(10-16)17-14(12-20)11-19(18-17)15-7-3-2-4-8-15/h2-11,20H,12H2,1H3
InChIKeyTWXRCUSQKZDYOY-UHFFFAOYSA-N
XLogP2.60
TPSA47.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity320

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-(4-Methylphenyl)-1-phenyl-1H-pyrazol-4-YL)methanol
CID 752098
[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol
CID 882911
3-(3-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 2377173
[1-benzyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanol
CID 2496576
(1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl]-2-(4-methoxyphenyl)ethan-1-ol
CID 10002931
(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

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol?
The IUPAC name of [3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol (CID 977051) is [3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methanol.
What is the SMILES notation for [3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol?
The canonical SMILES for [3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol is COC1=CC=CC(=C1)C2=NN(C=C2CO)C3=CC=CC=C3.
What is the InChIKey of [3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol?
The InChIKey is TWXRCUSQKZDYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-21-16-9-5-6-13(10-16)17-14(12-20)11-19(18-17)15-7-3-2-4-8-15/h2-11,20H,12H2,1H3.
What are the key properties of [3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol?
[3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol has a molecular weight of 280.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol is sourced from PubChem (CID 977051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).