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

C15H13ClN2O — CID 135900294

IUPAC2-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
SMILESOc1ccccc1C1=NN[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H13ClN2O/c16-11-7-5-10(6-8-11)13-9-14(18-17-13)12-3-1-2-4-15(12)19/h1-8,13,17,19H,9H2/t13-/m1/s1
InChIKeyBMOZIGVHPNPVGU-CYBMUJFWSA-N
MW272.74 g/mol
LogP3.48
Rot. Bonds2

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

2-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol (PubChem CID 135900294) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
PubChem CID135900294
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name2-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
SMILESOc1ccccc1C1=NN[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H13ClN2O/c16-11-7-5-10(6-8-11)13-9-14(18-17-13)12-3-1-2-4-15(12)19/h1-8,13,17,19H,9H2/t13-/m1/s1
InChIKeyBMOZIGVHPNPVGU-CYBMUJFWSA-N
XLogP3.48
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.48
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-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 3830634
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
2-[(5S)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol
CID 136670257
2,4-dichloro-6-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 135597142
2-[5-[4-(2H-tetrazol-5-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 139267186
4-methyl-2-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 135602935
4-chloro-2-(5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 3811786
2-[(5S)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 959198
2-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 4103570
2-[(5S)-5-(5-chloro-1-methylimidazol-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 911317
3-(4-bromophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
CID 15628692

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The IUPAC name of 2-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol (CID 135900294) is 2-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 2-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 2-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol is Oc1ccccc1C1=NN[C@@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The InChIKey is BMOZIGVHPNPVGU-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H13ClN2O/c16-11-7-5-10(6-8-11)13-9-14(18-17-13)12-3-1-2-4-15(12)19/h1-8,13,17,19H,9H2/t13-/m1/s1.
What are the key properties of 2-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
2-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol has a molecular weight of 272.74 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 135900294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).