4-methyl-2-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenol

C16H16N2O — CID 135602935

IUPAC4-methyl-2-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenol
SMILESCc1ccc(O)c(C2=NN[C@@H](c3ccccc3)C2)c1
InChIInChI=1S/C16H16N2O/c1-11-7-8-16(19)13(9-11)15-10-14(17-18-15)12-5-3-2-4-6-12/h2-9,14,17,19H,10H2,1H3/t14-/m1/s1
InChIKeyXGYLPEQQVFTZAI-CQSZACIVSA-N
MW252.32 g/mol
LogP3.14
Rot. Bonds2

About 4-methyl-2-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenol

4-methyl-2-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenol (PubChem CID 135602935) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-methyl-2-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-methyl-2-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenol
PubChem CID135602935
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name4-methyl-2-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenol
SMILESCc1ccc(O)c(C2=NN[C@@H](c3ccccc3)C2)c1
InChIInChI=1S/C16H16N2O/c1-11-7-8-16(19)13(9-11)15-10-14(17-18-15)12-5-3-2-4-6-12/h2-9,14,17,19H,10H2,1H3/t14-/m1/s1
InChIKeyXGYLPEQQVFTZAI-CQSZACIVSA-N
XLogP3.14
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}

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Related Compounds

2-[(5S)-5-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methylphenol
CID 135590845
2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 3830634
3-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole
CID 14956433
4-[2-[3-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-4-methylphenoxy]-2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 177007342
2-[5-(5-bromofuran-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methylphenol
CID 135734234
2-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 135900294
2-[(5S)-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 135674916
2-[5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 135604582
4-chloro-2-(5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 3811786
2-[(5S)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol
CID 136670257
4-methyl-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 43826645
2-chloro-8-methyl-3-[(5S)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]quinoline
CID 97103748

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The IUPAC name of 4-methyl-2-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenol (CID 135602935) is 4-methyl-2-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 4-methyl-2-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 4-methyl-2-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenol is Cc1ccc(O)c(C2=NN[C@@H](c3ccccc3)C2)c1.
What is the InChIKey of 4-methyl-2-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The InChIKey is XGYLPEQQVFTZAI-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11-7-8-16(19)13(9-11)15-10-14(17-18-15)12-5-3-2-4-6-12/h2-9,14,17,19H,10H2,1H3/t14-/m1/s1.
What are the key properties of 4-methyl-2-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenol?
4-methyl-2-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenol has a molecular weight of 252.32 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 135602935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).