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

C16H16N2 — CID 14956433

IUPAC3-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole
SMILESCc1ccc(C2=NNC(c3ccccc3)C2)cc1
InChIInChI=1S/C16H16N2/c1-12-7-9-14(10-8-12)16-11-15(17-18-16)13-5-3-2-4-6-13/h2-10,15,17H,11H2,1H3
InChIKeyQOEWBUDBFAOTSS-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.43
Rot. Bonds2

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

3-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole (PubChem CID 14956433) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole
PubChem CID14956433
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name3-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole
SMILESCc1ccc(C2=NNC(c3ccccc3)C2)cc1
InChIInChI=1S/C16H16N2/c1-12-7-9-14(10-8-12)16-11-15(17-18-16)13-5-3-2-4-6-13/h2-10,15,17H,11H2,1H3
InChIKeyQOEWBUDBFAOTSS-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-phenyl-3-(4-propan-2-yloxyphenyl)-4,5-dihydro-1H-pyrazole
CID 3415879
N-[4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]acetamide
CID 53298016
N-[4-[(5S)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl]acetamide
CID 95861300
5-(4-bromophenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole
CID 23583457
5-anthracen-9-yl-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole
CID 54597436
methyl 4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)benzoate
CID 170722121
4-methyl-2-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 135602935
3-(1,3-benzodioxol-5-yl)-5-phenyl-4,5-dihydro-1H-pyrazole
CID 53298015
5-[4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)phenyl]-2H-tetrazole
CID 139267128
2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 3830634
4-methyl-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 43826645
3-(4-bromophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
CID 15628692

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole?
The IUPAC name of 3-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole (CID 14956433) is 3-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 3-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 3-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole is Cc1ccc(C2=NNC(c3ccccc3)C2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole?
The InChIKey is QOEWBUDBFAOTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-12-7-9-14(10-8-12)16-11-15(17-18-16)13-5-3-2-4-6-13/h2-10,15,17H,11H2,1H3.
What are the key properties of 3-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole?
3-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole has a molecular weight of 236.32 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 14956433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).