(3,5-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone

C14H16N2O — CID 102802657

IUPAC(3,5-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone
SMILESCc1cc(C)cc(C(=O)c2cn(C)nc2C)c1
InChIInChI=1S/C14H16N2O/c1-9-5-10(2)7-12(6-9)14(17)13-8-16(4)15-11(13)3/h5-8H,1-4H3
InChIKeyROYLDSFXJKBJEE-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.58
Rot. Bonds2

About (3,5-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone

(3,5-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone (PubChem CID 102802657) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone
PubChem CID102802657
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name(3,5-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone
SMILESCc1cc(C)cc(C(=O)c2cn(C)nc2C)c1
InChIInChI=1S/C14H16N2O/c1-9-5-10(2)7-12(6-9)14(17)13-8-16(4)15-11(13)3/h5-8H,1-4H3
InChIKeyROYLDSFXJKBJEE-UHFFFAOYSA-N
XLogP2.58
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1,3-dimethylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methanone
CID 102802866
(3,4-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802720
(3-aminophenyl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 57433379
(1,3-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone
CID 102802735
(1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methanone
CID 102802910
1,3-dimethylpyrazole-4-carboxylic acid;ethane
CID 142969611
(1,3-dimethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 102802743
(1,3-dimethylpyrazol-4-yl)-(2-methyltriazol-4-yl)methanone
CID 130603525
methyl 1,3-dimethylpyrazole-4-carboxylate
CID 12654287
5-(1,3-dimethylpyrazole-4-carbonyl)-2-methylthiophene-3-carbaldehyde
CID 82383434
2-chloro-1,3-bis(1,3-dimethylpyrazol-4-yl)propane-1,3-dione
CID 19588271
3-(1,3-dimethylpyrazole-4-carbonyl)-1-methylpyrazole-5-carbonitrile;ethane
CID 171529577

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone?
The IUPAC name of (3,5-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone (CID 102802657) is (3,5-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone.
What is the SMILES notation for (3,5-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone?
The canonical SMILES for (3,5-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone is Cc1cc(C)cc(C(=O)c2cn(C)nc2C)c1.
What is the InChIKey of (3,5-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone?
The InChIKey is ROYLDSFXJKBJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-9-5-10(2)7-12(6-9)14(17)13-8-16(4)15-11(13)3/h5-8H,1-4H3.
What are the key properties of (3,5-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone?
(3,5-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone has a molecular weight of 228.29 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 102802657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).