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

C16H15ClN2O — CID 945002

IUPAC4-chloro-2-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
SMILESCc1ccc(C2=NN[C@@H](c3cc(Cl)ccc3O)C2)cc1
InChIInChI=1S/C16H15ClN2O/c1-10-2-4-11(5-3-10)14-9-15(19-18-14)13-8-12(17)6-7-16(13)20/h2-8,15,19-20H,9H2,1H3/t15-/m1/s1
InChIKeyBTOSROOMEFWDKE-OAHLLOKOSA-N
MW286.76 g/mol
LogP3.79
Rot. Bonds2

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

4-chloro-2-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol (PubChem CID 945002) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 4-chloro-2-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
PubChem CID945002
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name4-chloro-2-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
SMILESCc1ccc(C2=NN[C@@H](c3cc(Cl)ccc3O)C2)cc1
InChIInChI=1S/C16H15ClN2O/c1-10-2-4-11(5-3-10)14-9-15(19-18-14)13-8-12(17)6-7-16(13)20/h2-8,15,19-20H,9H2,1H3/t15-/m1/s1
InChIKeyBTOSROOMEFWDKE-OAHLLOKOSA-N
XLogP3.79
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.79
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

4-methyl-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 43826645
2-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-4-propan-2-ylphenol
CID 43826665
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-[(2R,6S)-2-(4-bromophenyl)-4-(4-methylphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-4-chlorophenol
CID 94485468
2-[2-(5-bromo-2-fluorophenyl)-4-(4-methylphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-4-chlorophenol
CID 20970438
4-chloro-2-[4-(4-methoxyphenyl)-2-(4-methylphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]phenol
CID 20970158
2-[(2R,6S)-2,4-bis(4-chlorophenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-4-chlorophenol
CID 94471854
5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
CID 4738355
6-(5-chloro-2-hydroxyphenyl)-4-[4-(dimethylamino)phenyl]-5,6-dihydro-1H-pyrimidine-2-thione
CID 3005881
3-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole
CID 14956433
4-chloro-2-[(2S,6S)-2-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]phenol
CID 94485508

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol?
The IUPAC name of 4-chloro-2-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol (CID 945002) is 4-chloro-2-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 4-chloro-2-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 4-chloro-2-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol is Cc1ccc(C2=NN[C@@H](c3cc(Cl)ccc3O)C2)cc1.
What is the InChIKey of 4-chloro-2-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol?
The InChIKey is BTOSROOMEFWDKE-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-10-2-4-11(5-3-10)14-9-15(19-18-14)13-8-12(17)6-7-16(13)20/h2-8,15,19-20H,9H2,1H3/t15-/m1/s1.
What are the key properties of 4-chloro-2-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol?
4-chloro-2-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol has a molecular weight of 286.76 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 945002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).