(4S)-3-(4-methylphenyl)-4-phenyl-4,5-dihydro-1H-pyrazole

C16H16N2 — CID 70317013

IUPAC(4S)-3-(4-methylphenyl)-4-phenyl-4,5-dihydro-1H-pyrazole
SMILESCc1ccc(C2=NNC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C16H16N2/c1-12-7-9-14(10-8-12)16-15(11-17-18-16)13-5-3-2-4-6-13/h2-10,15,17H,11H2,1H3/t15-/m1/s1
InChIKeyPYHVIBROLPRANY-OAHLLOKOSA-N
MW236.32 g/mol
LogP3.09
Rot. Bonds2

About (4S)-3-(4-methylphenyl)-4-phenyl-4,5-dihydro-1H-pyrazole

(4S)-3-(4-methylphenyl)-4-phenyl-4,5-dihydro-1H-pyrazole (PubChem CID 70317013) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is (4S)-3-(4-methylphenyl)-4-phenyl-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name(4S)-3-(4-methylphenyl)-4-phenyl-4,5-dihydro-1H-pyrazole
PubChem CID70317013
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name(4S)-3-(4-methylphenyl)-4-phenyl-4,5-dihydro-1H-pyrazole
SMILESCc1ccc(C2=NNC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C16H16N2/c1-12-7-9-14(10-8-12)16-15(11-17-18-16)13-5-3-2-4-6-13/h2-10,15,17H,11H2,1H3/t15-/m1/s1
InChIKeyPYHVIBROLPRANY-OAHLLOKOSA-N
XLogP3.09
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-(4-methylphenyl)-4-phenyl-4,5-dihydro-1H-pyrazole?
The IUPAC name of (4S)-3-(4-methylphenyl)-4-phenyl-4,5-dihydro-1H-pyrazole (CID 70317013) is (4S)-3-(4-methylphenyl)-4-phenyl-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for (4S)-3-(4-methylphenyl)-4-phenyl-4,5-dihydro-1H-pyrazole?
The canonical SMILES for (4S)-3-(4-methylphenyl)-4-phenyl-4,5-dihydro-1H-pyrazole is Cc1ccc(C2=NNC[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (4S)-3-(4-methylphenyl)-4-phenyl-4,5-dihydro-1H-pyrazole?
The InChIKey is PYHVIBROLPRANY-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16N2/c1-12-7-9-14(10-8-12)16-15(11-17-18-16)13-5-3-2-4-6-13/h2-10,15,17H,11H2,1H3/t15-/m1/s1.
What are the key properties of (4S)-3-(4-methylphenyl)-4-phenyl-4,5-dihydro-1H-pyrazole?
(4S)-3-(4-methylphenyl)-4-phenyl-4,5-dihydro-1H-pyrazole has a molecular weight of 236.32 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(4-methylphenyl)-4-phenyl-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 70317013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).