3-(2-methyl-5-phenyl-3,4-dihydropyrazol-3-yl)phenol

C16H16N2O — CID 54278942

IUPAC3-(2-methyl-5-phenyl-3,4-dihydropyrazol-3-yl)phenol
SMILESCN1N=C(c2ccccc2)CC1c1cccc(O)c1
InChIInChI=1S/C16H16N2O/c1-18-16(13-8-5-9-14(19)10-13)11-15(17-18)12-6-3-2-4-7-12/h2-10,16,19H,11H2,1H3
InChIKeyRPKQUPQZWRJGPW-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.17
Rot. Bonds2

About 3-(2-methyl-5-phenyl-3,4-dihydropyrazol-3-yl)phenol

3-(2-methyl-5-phenyl-3,4-dihydropyrazol-3-yl)phenol (PubChem CID 54278942) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-(2-methyl-5-phenyl-3,4-dihydropyrazol-3-yl)phenol.

Molecular Properties

Compound Name3-(2-methyl-5-phenyl-3,4-dihydropyrazol-3-yl)phenol
PubChem CID54278942
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name3-(2-methyl-5-phenyl-3,4-dihydropyrazol-3-yl)phenol
SMILESCN1N=C(c2ccccc2)CC1c1cccc(O)c1
InChIInChI=1S/C16H16N2O/c1-18-16(13-8-5-9-14(19)10-13)11-15(17-18)12-6-3-2-4-7-12/h2-10,16,19H,11H2,1H3
InChIKeyRPKQUPQZWRJGPW-UHFFFAOYSA-N
XLogP3.17
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]phenol
CID 3756039
1-[5-(3-hydroxyphenyl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 170788089
1-[(3S)-5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 901843
(3S)-3-(3-bromophenyl)-N-methyl-5-phenyl-3,4-dihydropyrazole-2-carbothioamide
CID 97062367
methyl 3-methoxy-2-[2-[[3-(2-methyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenoxy]methyl]phenyl]prop-2-enoate
CID 139758714
3-(3-bromophenyl)-5-phenyl-3,4-dihydropyrazole-2-carbothioamide
CID 46246093
(3R)-3-(4-methoxyphenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole
CID 6925478
1-[(3S)-3-(3-hydroxy-4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 8721763
(3S)-3-[3-[10-[3-[(3R)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]phenoxy]decoxy]phenyl]-2,5-diphenyl-3,4-dihydropyrazole
CID 139235423
(3S)-2-methyl-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
CID 129410825
N-methyl-3,5-diphenyl-3,4-dihydropyrazole-2-carbothioamide
CID 14956435
2-methylsulfonyl-3,5-diphenyl-3,4-dihydropyrazole
CID 2953116

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-5-phenyl-3,4-dihydropyrazol-3-yl)phenol?
The IUPAC name of 3-(2-methyl-5-phenyl-3,4-dihydropyrazol-3-yl)phenol (CID 54278942) is 3-(2-methyl-5-phenyl-3,4-dihydropyrazol-3-yl)phenol.
What is the SMILES notation for 3-(2-methyl-5-phenyl-3,4-dihydropyrazol-3-yl)phenol?
The canonical SMILES for 3-(2-methyl-5-phenyl-3,4-dihydropyrazol-3-yl)phenol is CN1N=C(c2ccccc2)CC1c1cccc(O)c1.
What is the InChIKey of 3-(2-methyl-5-phenyl-3,4-dihydropyrazol-3-yl)phenol?
The InChIKey is RPKQUPQZWRJGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-18-16(13-8-5-9-14(19)10-13)11-15(17-18)12-6-3-2-4-7-12/h2-10,16,19H,11H2,1H3.
What are the key properties of 3-(2-methyl-5-phenyl-3,4-dihydropyrazol-3-yl)phenol?
3-(2-methyl-5-phenyl-3,4-dihydropyrazol-3-yl)phenol has a molecular weight of 252.32 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-5-phenyl-3,4-dihydropyrazol-3-yl)phenol is sourced from PubChem (CID 54278942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).