[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methanol

C20H22N2O2 — CID 752100

IUPAC[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methanol
SMILESCC(C)COc1ccc(-c2nn(-c3ccccc3)cc2CO)cc1
InChIInChI=1S/C20H22N2O2/c1-15(2)14-24-19-10-8-16(9-11-19)20-17(13-23)12-22(21-20)18-6-4-3-5-7-18/h3-12,15,23H,13-14H2,1-2H3
InChIKeyKBUGMHOBUCBBIP-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.07
Rot. Bonds6

About [3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methanol

[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methanol (PubChem CID 752100) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is [3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methanol
PubChem CID752100
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methanol
SMILESCC(C)COc1ccc(-c2nn(-c3ccccc3)cc2CO)cc1
InChIInChI=1S/C20H22N2O2/c1-15(2)14-24-19-10-8-16(9-11-19)20-17(13-23)12-22(21-20)18-6-4-3-5-7-18/h3-12,15,23H,13-14H2,1-2H3
InChIKeyKBUGMHOBUCBBIP-UHFFFAOYSA-N
XLogP4.07
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.07
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-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 792340
[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
({1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl}methyl)methyl[(1-phenyl-1H-pyrazol-4-yl)methyl]amine
CID 26325235
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6894322
(5Z)-2-Imino-5-{[1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-YL]methylene}-1,3-thiazolidin-4-one
CID 1924867
(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
3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6898261

Frequently Asked Questions

What is the IUPAC name of [3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methanol?
The IUPAC name of [3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methanol (CID 752100) is [3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methanol.
What is the SMILES notation for [3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methanol?
The canonical SMILES for [3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methanol is CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2CO)cc1.
What is the InChIKey of [3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methanol?
The InChIKey is KBUGMHOBUCBBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-15(2)14-24-19-10-8-16(9-11-19)20-17(13-23)12-22(21-20)18-6-4-3-5-7-18/h3-12,15,23H,13-14H2,1-2H3.
What are the key properties of [3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methanol?
[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methanol has a molecular weight of 322.41 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methanol is sourced from PubChem (CID 752100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).