[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methanol

C18H18N2O2 — CID 39096917

IUPAC[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methanol
SMILESCc1cccc(Oc2c(CO)c(C)nn2-c2ccccc2)c1
InChIInChI=1S/C18H18N2O2/c1-13-7-6-10-16(11-13)22-18-17(12-21)14(2)19-20(18)15-8-4-3-5-9-15/h3-11,21H,12H2,1-2H3
InChIKeyOJUHKPXJGHRGMX-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.77
Rot. Bonds4

About [3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methanol

[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methanol (PubChem CID 39096917) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is [3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methanol
PubChem CID39096917
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methanol
SMILESCc1cccc(Oc2c(CO)c(C)nn2-c2ccccc2)c1
InChIInChI=1S/C18H18N2O2/c1-13-7-6-10-16(11-13)22-18-17(12-21)14(2)19-20(18)15-8-4-3-5-9-15/h3-11,21H,12H2,1-2H3
InChIKeyOJUHKPXJGHRGMX-UHFFFAOYSA-N
XLogP3.77
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]butan-2-ol
CID 93230523
1-methoxy-3-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]propan-2-ol
CID 46031809
1-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl-propylamino]pentan-2-ol
CID 42843178
(2S)-1-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]-3-propan-2-yloxypropan-2-ol
CID 93218409
(2R)-1-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 93230518
1-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 46031800
(2R)-1-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]-3-(2-methylpropoxy)propan-2-ol
CID 93218412
(2R)-1-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 93218416
(2S)-1-[cyclopropyl-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]-3-phenylpropan-2-ol
CID 93218437
2-[cyclopropylmethyl-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]-1-phenylethanol
CID 42843184
1-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl-propylamino]-3-(2-methylpropoxy)propan-2-ol
CID 42843180
1-[2-methoxyethyl-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]-3-phenoxypropan-2-ol
CID 42843163

Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methanol?
The IUPAC name of [3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methanol (CID 39096917) is [3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methanol.
What is the SMILES notation for [3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methanol?
The canonical SMILES for [3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methanol is Cc1cccc(Oc2c(CO)c(C)nn2-c2ccccc2)c1.
What is the InChIKey of [3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methanol?
The InChIKey is OJUHKPXJGHRGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13-7-6-10-16(11-13)22-18-17(12-21)14(2)19-20(18)15-8-4-3-5-9-15/h3-11,21H,12H2,1-2H3.
What are the key properties of [3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methanol?
[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methanol has a molecular weight of 294.35 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methanol is sourced from PubChem (CID 39096917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).