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

C14H16N2O — CID 102802720

IUPAC(3,4-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone
SMILESCc1ccc(C(=O)c2cn(C)nc2C)cc1C
InChIInChI=1S/C14H16N2O/c1-9-5-6-12(7-10(9)2)14(17)13-8-16(4)15-11(13)3/h5-8H,1-4H3
InChIKeyZGZVRRFDWYGMMD-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.58
Rot. Bonds2

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

(3,4-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone (PubChem CID 102802720) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone
PubChem CID102802720
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name(3,4-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone
SMILESCc1ccc(C(=O)c2cn(C)nc2C)cc1C
InChIInChI=1S/C14H16N2O/c1-9-5-6-12(7-10(9)2)14(17)13-8-16(4)15-11(13)3/h5-8H,1-4H3
InChIKeyZGZVRRFDWYGMMD-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)-(3-fluoro-4-methoxyphenyl)methanone
CID 102802743
(3,5-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802657
(3-aminophenyl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 57433379
(1,3-dimethylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methanone
CID 102802866
(3,4-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 113222403
(3,4-dimethylphenyl)-(1-methylimidazol-4-yl)methanone
CID 107976703
(3,4-dimethylphenyl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 105093552
(1,3-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone
CID 102802735
(1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methanone
CID 102802910
(2,3-difluoro-4-methylphenyl)-(3,4-dimethylphenyl)methanone
CID 107515111
N-(2,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474851
(5-chlorothiophen-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802864

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone?
The IUPAC name of (3,4-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone (CID 102802720) is (3,4-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone?
The canonical SMILES for (3,4-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone is Cc1ccc(C(=O)c2cn(C)nc2C)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone?
The InChIKey is ZGZVRRFDWYGMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-9-5-6-12(7-10(9)2)14(17)13-8-16(4)15-11(13)3/h5-8H,1-4H3.
What are the key properties of (3,4-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone?
(3,4-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 (3,4-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 102802720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).