3-methyl-5-(2-phenylethyl)-1,2-dihydropyrazol-3-ol

C12H16N2O — CID 142995897

IUPAC3-methyl-5-(2-phenylethyl)-1,2-dihydropyrazol-3-ol
SMILESCC1(O)C=C(CCc2ccccc2)NN1
InChIInChI=1S/C12H16N2O/c1-12(15)9-11(13-14-12)8-7-10-5-3-2-4-6-10/h2-6,9,13-15H,7-8H2,1H3
InChIKeyFNGVOAZIEJNEDG-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.32
Rot. Bonds3

About 3-methyl-5-(2-phenylethyl)-1,2-dihydropyrazol-3-ol

3-methyl-5-(2-phenylethyl)-1,2-dihydropyrazol-3-ol (PubChem CID 142995897) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-methyl-5-(2-phenylethyl)-1,2-dihydropyrazol-3-ol.

Molecular Properties

Compound Name3-methyl-5-(2-phenylethyl)-1,2-dihydropyrazol-3-ol
PubChem CID142995897
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-methyl-5-(2-phenylethyl)-1,2-dihydropyrazol-3-ol
SMILESCC1(O)C=C(CCc2ccccc2)NN1
InChIInChI=1S/C12H16N2O/c1-12(15)9-11(13-14-12)8-7-10-5-3-2-4-6-10/h2-6,9,13-15H,7-8H2,1H3
InChIKeyFNGVOAZIEJNEDG-UHFFFAOYSA-N
XLogP1.32
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-Phenyl-3-(trifluoromethyl)-1,2-dihydropyrazol-3-ol
CID 4519188
(3R)-5-(2-phenylethenyl)-3-(trifluoromethyl)-1,2-dihydropyrazol-3-ol
CID 7007474
2,5-dimethyl-3-phenyl-1H-pyrazol-5-ol
CID 124095371
3-Methyl-5-(4-methylphenyl)-1,2-dihydropyrazol-3-ol
CID 142995901
(3Z)-4-amino-4-(4-tert-butylphenyl)-3-hydrazinylbuta-1,3-dien-2-ol
CID 156348285
2,3,6-Trimethyl-5-phenyl-1,6-dihydropyridazin-3-ol
CID 163625247
3-methyl-2-(2-phenylethyl)-1H-pyrazol-3-ol
CID 101870600

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-phenylethyl)-1,2-dihydropyrazol-3-ol?
The IUPAC name of 3-methyl-5-(2-phenylethyl)-1,2-dihydropyrazol-3-ol (CID 142995897) is 3-methyl-5-(2-phenylethyl)-1,2-dihydropyrazol-3-ol.
What is the SMILES notation for 3-methyl-5-(2-phenylethyl)-1,2-dihydropyrazol-3-ol?
The canonical SMILES for 3-methyl-5-(2-phenylethyl)-1,2-dihydropyrazol-3-ol is CC1(O)C=C(CCc2ccccc2)NN1.
What is the InChIKey of 3-methyl-5-(2-phenylethyl)-1,2-dihydropyrazol-3-ol?
The InChIKey is FNGVOAZIEJNEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-12(15)9-11(13-14-12)8-7-10-5-3-2-4-6-10/h2-6,9,13-15H,7-8H2,1H3.
What are the key properties of 3-methyl-5-(2-phenylethyl)-1,2-dihydropyrazol-3-ol?
3-methyl-5-(2-phenylethyl)-1,2-dihydropyrazol-3-ol has a molecular weight of 204.27 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-phenylethyl)-1,2-dihydropyrazol-3-ol is sourced from PubChem (CID 142995897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).