1-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-one

C16H20N2O — CID 103023672

IUPAC1-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-one
SMILESCc1cccc(CCC(=O)CCc2cnn(C)c2)c1
InChIInChI=1S/C16H20N2O/c1-13-4-3-5-14(10-13)6-8-16(19)9-7-15-11-17-18(2)12-15/h3-5,10-12H,6-9H2,1-2H3
InChIKeyIOZMIPUHQBMOKA-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.86
Rot. Bonds6

About 1-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-one

1-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-one (PubChem CID 103023672) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-one.

Molecular Properties

Compound Name1-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-one
PubChem CID103023672
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-one
SMILESCc1cccc(CCC(=O)CCc2cnn(C)c2)c1
InChIInChI=1S/C16H20N2O/c1-13-4-3-5-14(10-13)6-8-16(19)9-7-15-11-17-18(2)12-15/h3-5,10-12H,6-9H2,1-2H3
InChIKeyIOZMIPUHQBMOKA-UHFFFAOYSA-N
XLogP2.86
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-yl]hydrazine
CID 103025657
1-(1-methylpyrazol-4-yl)-5-pyridin-2-ylpentan-3-one
CID 103023920
1-(2,6-dichlorophenyl)-4-(1-methylpyrazol-4-yl)butan-2-one
CID 103007346
1-(3,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103024078
4-[4-bromo-3-(3-methylphenyl)butyl]-1-methylpyrazole
CID 103018542
5,5-dimethyl-1-(1-methylpyrazol-4-yl)hexan-3-one
CID 103007465
8-amino-1-(1-methylpyrazol-4-yl)octan-3-one
CID 103023487
1-(1-methylpyrazol-4-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pentan-3-one
CID 103024140
N-methyl-2-[(3-methylphenyl)methylsulfanyl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 134037048
1,1,1-trifluoro-5-(1-methylpyrazol-4-yl)pentan-3-one
CID 103007322
1-(3-methylphenyl)hept-6-en-3-one
CID 105104547
1-(4-chlorophenyl)-4-(1-methylpyrazol-4-yl)butan-2-one
CID 103007258

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-one?
The IUPAC name of 1-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-one (CID 103023672) is 1-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-one.
What is the SMILES notation for 1-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-one?
The canonical SMILES for 1-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-one is Cc1cccc(CCC(=O)CCc2cnn(C)c2)c1.
What is the InChIKey of 1-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-one?
The InChIKey is IOZMIPUHQBMOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-13-4-3-5-14(10-13)6-8-16(19)9-7-15-11-17-18(2)12-15/h3-5,10-12H,6-9H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-one?
1-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-one has a molecular weight of 256.35 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-one is sourced from PubChem (CID 103023672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).