2,2-dimethyl-1-[1-(4-methylphenyl)pyrazol-4-yl]propan-1-one

C15H18N2O — CID 170135904

IUPAC2,2-dimethyl-1-[1-(4-methylphenyl)pyrazol-4-yl]propan-1-one
SMILESCc1ccc(-n2cc(C(=O)C(C)(C)C)cn2)cc1
InChIInChI=1S/C15H18N2O/c1-11-5-7-13(8-6-11)17-10-12(9-16-17)14(18)15(2,3)4/h5-10H,1-4H3
InChIKeyCUUMKEFGUGLTII-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.41
Rot. Bonds2

About 2,2-dimethyl-1-[1-(4-methylphenyl)pyrazol-4-yl]propan-1-one

2,2-dimethyl-1-[1-(4-methylphenyl)pyrazol-4-yl]propan-1-one (PubChem CID 170135904) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2,2-dimethyl-1-[1-(4-methylphenyl)pyrazol-4-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[1-(4-methylphenyl)pyrazol-4-yl]propan-1-one
PubChem CID170135904
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2,2-dimethyl-1-[1-(4-methylphenyl)pyrazol-4-yl]propan-1-one
SMILESCc1ccc(-n2cc(C(=O)C(C)(C)C)cn2)cc1
InChIInChI=1S/C15H18N2O/c1-11-5-7-13(8-6-11)17-10-12(9-16-17)14(18)15(2,3)4/h5-10H,1-4H3
InChIKeyCUUMKEFGUGLTII-UHFFFAOYSA-N
XLogP3.41
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-one
CID 14590777
1-(4-bromophenyl)pyrazole-4-carboxylic acid
CID 11601417
6-[1-(4-methylphenyl)pyrazol-4-yl]pyridine-3-carboxylic acid
CID 4236852
1-(4-ethylphenyl)pyrazole-4-carboxylic acid
CID 82365536
1-(4-ethoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 82365495
3-[1-(4-methylphenyl)pyrazol-4-yl]propanoic acid
CID 83894149
2,2,3,3-tetrafluoro-1-(1-phenylpyrazol-4-yl)propan-1-one
CID 114032783
2,2-dimethyl-1-[4-(1,2,4-triazol-1-yl)phenyl]propan-1-one
CID 58252503
1,4-bis(4-methylphenyl)pyrazole;methanamine
CID 153378123
1-(4-bromo-3-methylphenyl)pyrazole-4-carboxylic acid
CID 82489333
1-[1-(4-fluorophenyl)pyrazol-4-yl]propan-1-one
CID 171484231
1-(4-butylphenyl)pyrazole-4-carboxylic acid
CID 82365506

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[1-(4-methylphenyl)pyrazol-4-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[1-(4-methylphenyl)pyrazol-4-yl]propan-1-one (CID 170135904) is 2,2-dimethyl-1-[1-(4-methylphenyl)pyrazol-4-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[1-(4-methylphenyl)pyrazol-4-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[1-(4-methylphenyl)pyrazol-4-yl]propan-1-one is Cc1ccc(-n2cc(C(=O)C(C)(C)C)cn2)cc1.
What is the InChIKey of 2,2-dimethyl-1-[1-(4-methylphenyl)pyrazol-4-yl]propan-1-one?
The InChIKey is CUUMKEFGUGLTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-5-7-13(8-6-11)17-10-12(9-16-17)14(18)15(2,3)4/h5-10H,1-4H3.
What are the key properties of 2,2-dimethyl-1-[1-(4-methylphenyl)pyrazol-4-yl]propan-1-one?
2,2-dimethyl-1-[1-(4-methylphenyl)pyrazol-4-yl]propan-1-one has a molecular weight of 242.32 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[1-(4-methylphenyl)pyrazol-4-yl]propan-1-one is sourced from PubChem (CID 170135904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).