ethane;3-(4-methylphenyl)-5-phenyl-4H-pyrazole

C20H26N2 — CID 91231324

IUPACethane;3-(4-methylphenyl)-5-phenyl-4H-pyrazole
SMILESCC.CC.Cc1ccc(C2=NN=C(c3ccccc3)C2)cc1
InChIInChI=1S/C16H14N2.2C2H6/c1-12-7-9-14(10-8-12)16-11-15(17-18-16)13-5-3-2-4-6-13;2*1-2/h2-10H,11H2,1H3;2*1-2H3
InChIKeyODSKYTCWYHRJQW-UHFFFAOYSA-N
MW294.44 g/mol
LogP5.64
Rot. Bonds2

About ethane;3-(4-methylphenyl)-5-phenyl-4H-pyrazole

ethane;3-(4-methylphenyl)-5-phenyl-4H-pyrazole (PubChem CID 91231324) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is ethane;3-(4-methylphenyl)-5-phenyl-4H-pyrazole.

Molecular Properties

Compound Nameethane;3-(4-methylphenyl)-5-phenyl-4H-pyrazole
PubChem CID91231324
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Nameethane;3-(4-methylphenyl)-5-phenyl-4H-pyrazole
SMILESCC.CC.Cc1ccc(C2=NN=C(c3ccccc3)C2)cc1
InChIInChI=1S/C16H14N2.2C2H6/c1-12-7-9-14(10-8-12)16-11-15(17-18-16)13-5-3-2-4-6-13;2*1-2/h2-10H,11H2,1H3;2*1-2H3
InChIKeyODSKYTCWYHRJQW-UHFFFAOYSA-N
XLogP5.64
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
3,5-bis(4-methylphenyl)-4H-pyrazole;1-methyl-4-[4-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]benzene
CID 159594740
butane;3-methyl-5-phenyl-4H-pyrazole
CID 91042720
ethane;1-methyl-4-phenylbenzene;toluene
CID 159803578
ethane;1-methyl-4-phenylbenzene;toluene
CID 157456524
ethane;methane;1-methyl-4-phenylbenzene
CID 143611995
2,3-dimethyl-5,7-diphenyl-6H-1,4-diazepine
CID 71375212
benzene;ethane;1-methyl-4-(4-methylphenyl)benzene
CID 161197560
6-(4-methylphenyl)-4-phenyl-3-(4-phenylphenyl)-5H-1,2,4-triazine
CID 163483032
3-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-4H-pyrazol-3-yl]phenyl]-4H-pyrazole
CID 20739257
1,1'-biphenyl;toluene
CID 18366440

Frequently Asked Questions

What is the IUPAC name of ethane;3-(4-methylphenyl)-5-phenyl-4H-pyrazole?
The IUPAC name of ethane;3-(4-methylphenyl)-5-phenyl-4H-pyrazole (CID 91231324) is ethane;3-(4-methylphenyl)-5-phenyl-4H-pyrazole.
What is the SMILES notation for ethane;3-(4-methylphenyl)-5-phenyl-4H-pyrazole?
The canonical SMILES for ethane;3-(4-methylphenyl)-5-phenyl-4H-pyrazole is CC.CC.Cc1ccc(C2=NN=C(c3ccccc3)C2)cc1.
What is the InChIKey of ethane;3-(4-methylphenyl)-5-phenyl-4H-pyrazole?
The InChIKey is ODSKYTCWYHRJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2.2C2H6/c1-12-7-9-14(10-8-12)16-11-15(17-18-16)13-5-3-2-4-6-13;2*1-2/h2-10H,11H2,1H3;2*1-2H3.
What are the key properties of ethane;3-(4-methylphenyl)-5-phenyl-4H-pyrazole?
ethane;3-(4-methylphenyl)-5-phenyl-4H-pyrazole has a molecular weight of 294.44 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(4-methylphenyl)-5-phenyl-4H-pyrazole is sourced from PubChem (CID 91231324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).