1-(4-methylphenyl)-3-(4-methyl-3-phenyl-1H-pyrazol-5-yl)propan-1-one

C20H20N2O — CID 123887684

IUPAC1-(4-methylphenyl)-3-(4-methyl-3-phenyl-1H-pyrazol-5-yl)propan-1-one
SMILESCc1ccc(C(=O)CCc2[nH]nc(-c3ccccc3)c2C)cc1
InChIInChI=1S/C20H20N2O/c1-14-8-10-16(11-9-14)19(23)13-12-18-15(2)20(22-21-18)17-6-4-3-5-7-17/h3-11H,12-13H2,1-2H3,(H,21,22)
InChIKeyHXPMRCXICGOYRH-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.51
Rot. Bonds5

About 1-(4-methylphenyl)-3-(4-methyl-3-phenyl-1H-pyrazol-5-yl)propan-1-one

1-(4-methylphenyl)-3-(4-methyl-3-phenyl-1H-pyrazol-5-yl)propan-1-one (PubChem CID 123887684) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(4-methyl-3-phenyl-1H-pyrazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(4-methyl-3-phenyl-1H-pyrazol-5-yl)propan-1-one
PubChem CID123887684
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name1-(4-methylphenyl)-3-(4-methyl-3-phenyl-1H-pyrazol-5-yl)propan-1-one
SMILESCc1ccc(C(=O)CCc2[nH]nc(-c3ccccc3)c2C)cc1
InChIInChI=1S/C20H20N2O/c1-14-8-10-16(11-9-14)19(23)13-12-18-15(2)20(22-21-18)17-6-4-3-5-7-17/h3-11H,12-13H2,1-2H3,(H,21,22)
InChIKeyHXPMRCXICGOYRH-UHFFFAOYSA-N
XLogP4.51
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-4-methyl-3-phenyl-1H-pyrazole
CID 134439971
N-[(4-methyl-3-phenyl-1H-pyrazol-5-yl)methyl]ethanamine
CID 54847112
[4-methyl-3-(4-methylphenyl)-1H-pyrazol-5-yl]methanamine
CID 83848092
1-(4-butyl-3-phenyl-1H-pyrazol-5-yl)-4-(4-methylphenyl)butan-2-one
CID 156886782
2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone
CID 7897833
1-(4-methylphenyl)-3-phenylselanylpropan-1-one
CID 23246415
4-[(5-methyl-2-pyridinyl)sulfonyl]-1-(4-phenylphenyl)butan-1-one
CID 161370423
1-(4-methylphenyl)-3-naphthalen-1-ylpropan-1-one
CID 82185648
ethane;ethyl 4-methyl-3-phenyl-1H-pyrazole-5-carboxylate
CID 171093697
4-(4-bromophenyl)-N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 126204377
3-(3-methylphenyl)-1-(4-methylphenyl)propan-1-one
CID 24725664
1-(4-phenylphenyl)-2-(tribromo-λ4-tellanyl)ethanone
CID 134926027

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(4-methyl-3-phenyl-1H-pyrazol-5-yl)propan-1-one?
The IUPAC name of 1-(4-methylphenyl)-3-(4-methyl-3-phenyl-1H-pyrazol-5-yl)propan-1-one (CID 123887684) is 1-(4-methylphenyl)-3-(4-methyl-3-phenyl-1H-pyrazol-5-yl)propan-1-one.
What is the SMILES notation for 1-(4-methylphenyl)-3-(4-methyl-3-phenyl-1H-pyrazol-5-yl)propan-1-one?
The canonical SMILES for 1-(4-methylphenyl)-3-(4-methyl-3-phenyl-1H-pyrazol-5-yl)propan-1-one is Cc1ccc(C(=O)CCc2[nH]nc(-c3ccccc3)c2C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(4-methyl-3-phenyl-1H-pyrazol-5-yl)propan-1-one?
The InChIKey is HXPMRCXICGOYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-14-8-10-16(11-9-14)19(23)13-12-18-15(2)20(22-21-18)17-6-4-3-5-7-17/h3-11H,12-13H2,1-2H3,(H,21,22).
What are the key properties of 1-(4-methylphenyl)-3-(4-methyl-3-phenyl-1H-pyrazol-5-yl)propan-1-one?
1-(4-methylphenyl)-3-(4-methyl-3-phenyl-1H-pyrazol-5-yl)propan-1-one has a molecular weight of 304.39 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(4-methyl-3-phenyl-1H-pyrazol-5-yl)propan-1-one is sourced from PubChem (CID 123887684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).