1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one

C14H18N2O — CID 3778

IUPAC1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one
SMILESCc1c(C(C)C)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3
InChIKeyPXWLVJLKJGVOKE-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.61
Rot. Bonds2

About 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one

1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one (PubChem CID 3778) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one.

Molecular Properties

Compound Name1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one
PubChem CID3778
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one
SMILESCc1c(C(C)C)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3
InChIKeyPXWLVJLKJGVOKE-UHFFFAOYSA-N
XLogP2.61
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Aminopyrine
CID 6009
Antipyrine
CID 2206
Methylaminoantipyrine
CID 10618
4-Aminoantipyrine
CID 2151
Famprofazone
CID 3326
Feprazone
CID 35455
4-Iodoantipyrine
CID 8522
4-Acetylaminoantipyrine
CID 65743
4-Hydroxyantipyrine
CID 98889
1H-Pyrazol-5-ol, 3-methyl-1-phenyl-
CID 70335
2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde
CID 70371
Diantipyrylmethane
CID 96229

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one?
The IUPAC name of 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one (CID 3778) is 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one.
What is the SMILES notation for 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one?
The canonical SMILES for 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one is Cc1c(C(C)C)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one?
The InChIKey is PXWLVJLKJGVOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3.
What are the key properties of 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one?
1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one has a molecular weight of 230.31 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one is sourced from PubChem (CID 3778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).