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

C15H13ClN2O — CID 959198

IUPAC2-[(5S)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
SMILESOc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=NN1
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/h1-8,14,18-19H,9H2/t14-/m0/s1
InChIKeyZOTJTRRGWVNLNV-AWEZNQCLSA-N
MW272.74 g/mol
LogP3.48
Rot. Bonds2

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

2-[(5S)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol (PubChem CID 959198) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-[(5S)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-[(5S)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
PubChem CID959198
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name2-[(5S)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
SMILESOc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=NN1
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/h1-8,14,18-19H,9H2/t14-/m0/s1
InChIKeyZOTJTRRGWVNLNV-AWEZNQCLSA-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': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 4103570
4-chloro-2-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 945002
2-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-4-propan-2-ylphenol
CID 43826665
2-[(5S)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 39733479
2-[(2R,6R)-2,4-bis(4-chlorophenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]phenol
CID 94485814
2-[3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 75539209
4-methyl-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 43826645
2-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 135900294
2-[(2S,6S)-4-(4-chlorophenyl)-2-(2-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]phenol
CID 94485772
2-[(2R,6R)-4-(4-chlorophenyl)-2-(2-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]phenol
CID 94485771
2-[(2R,6R)-2-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]phenol
CID 94485500
3-(4-bromophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
CID 15628692

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol?
The IUPAC name of 2-[(5S)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol (CID 959198) is 2-[(5S)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 2-[(5S)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 2-[(5S)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol is Oc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=NN1.
What is the InChIKey of 2-[(5S)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol?
The InChIKey is ZOTJTRRGWVNLNV-AWEZNQCLSA-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/h1-8,14,18-19H,9H2/t14-/m0/s1.
What are the key properties of 2-[(5S)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol?
2-[(5S)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-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-[(5S)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 959198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).