(3,4-dimethylphenyl)-(2,5-dimethylpyrazol-3-yl)methanone

C14H16N2O — CID 105093552

IUPAC(3,4-dimethylphenyl)-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)c2ccc(C)c(C)c2)n(C)n1
InChIInChI=1S/C14H16N2O/c1-9-5-6-12(7-10(9)2)14(17)13-8-11(3)15-16(13)4/h5-8H,1-4H3
InChIKeyNVTDQIHKJPYBJK-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.58
Rot. Bonds2

About (3,4-dimethylphenyl)-(2,5-dimethylpyrazol-3-yl)methanone

(3,4-dimethylphenyl)-(2,5-dimethylpyrazol-3-yl)methanone (PubChem CID 105093552) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(2,5-dimethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(2,5-dimethylpyrazol-3-yl)methanone
PubChem CID105093552
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name(3,4-dimethylphenyl)-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)c2ccc(C)c(C)c2)n(C)n1
InChIInChI=1S/C14H16N2O/c1-9-5-6-12(7-10(9)2)14(17)13-8-11(3)15-16(13)4/h5-8H,1-4H3
InChIKeyNVTDQIHKJPYBJK-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-Naphthalenyl(1-pentyl-1H-indazol-3-yl)methanone
CID 124518671
2-(3,5-Dimethyl-4-nitropyrazol-1-yl)-1-(2,4,5-trimethylphenyl)ethanone
CID 2084431
(E)-3-(1,5-dimethylpyrazol-4-yl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 6156913
4-[5-[[3-Fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methylpyrazol-3-yl]-2-methylbenzamide
CID 56651044
3,5-dimethyl-1-(2-methylbenzoyl)-1H-pyrazole
CID 3724041
4-(2,5-dimethylphenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-oxobutanehydrazide
CID 7969384
{1-[(1-ethyl-3-methyl-1H-pyrazol-5-yl)carbonyl]-3-piperidinyl}(2-naphthyl)methanone
CID 16191557
{1-[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-3-piperidinyl}(2-naphthyl)methanone
CID 16192083
2-(3,5-Dimethyl-4-nitropyrazol-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 2084799
1-(3-aminophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-ethanone
CID 3758949
(E)-3-(dimethylamino)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phenyl-2-propen-1-one
CID 5929755
1-phenyl-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-2-propen-1-one
CID 5887205

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(2,5-dimethylpyrazol-3-yl)methanone?
The IUPAC name of (3,4-dimethylphenyl)-(2,5-dimethylpyrazol-3-yl)methanone (CID 105093552) is (3,4-dimethylphenyl)-(2,5-dimethylpyrazol-3-yl)methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-(2,5-dimethylpyrazol-3-yl)methanone?
The canonical SMILES for (3,4-dimethylphenyl)-(2,5-dimethylpyrazol-3-yl)methanone is Cc1cc(C(=O)c2ccc(C)c(C)c2)n(C)n1.
What is the InChIKey of (3,4-dimethylphenyl)-(2,5-dimethylpyrazol-3-yl)methanone?
The InChIKey is NVTDQIHKJPYBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-9-5-6-12(7-10(9)2)14(17)13-8-11(3)15-16(13)4/h5-8H,1-4H3.
What are the key properties of (3,4-dimethylphenyl)-(2,5-dimethylpyrazol-3-yl)methanone?
(3,4-dimethylphenyl)-(2,5-dimethylpyrazol-3-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)-(2,5-dimethylpyrazol-3-yl)methanone is sourced from PubChem (CID 105093552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).