(2-methylpyrazol-3-yl)-(2,4,6-trimethylphenyl)methanone

C14H16N2O — CID 114972636

IUPAC(2-methylpyrazol-3-yl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2ccnn2C)c(C)c1
InChIInChI=1S/C14H16N2O/c1-9-7-10(2)13(11(3)8-9)14(17)12-5-6-15-16(12)4/h5-8H,1-4H3
InChIKeyCBDYNAVMFILWOR-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.58
Rot. Bonds2

About (2-methylpyrazol-3-yl)-(2,4,6-trimethylphenyl)methanone

(2-methylpyrazol-3-yl)-(2,4,6-trimethylphenyl)methanone (PubChem CID 114972636) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-(2,4,6-trimethylphenyl)methanone
PubChem CID114972636
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name(2-methylpyrazol-3-yl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2ccnn2C)c(C)c1
InChIInChI=1S/C14H16N2O/c1-9-7-10(2)13(11(3)8-9)14(17)12-5-6-15-16(12)4/h5-8H,1-4H3
InChIKeyCBDYNAVMFILWOR-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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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of (2-methylpyrazol-3-yl)-(2,4,6-trimethylphenyl)methanone (CID 114972636) is (2-methylpyrazol-3-yl)-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)c2ccnn2C)c(C)c1.
What is the InChIKey of (2-methylpyrazol-3-yl)-(2,4,6-trimethylphenyl)methanone?
The InChIKey is CBDYNAVMFILWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-9-7-10(2)13(11(3)8-9)14(17)12-5-6-15-16(12)4/h5-8H,1-4H3.
What are the key properties of (2-methylpyrazol-3-yl)-(2,4,6-trimethylphenyl)methanone?
(2-methylpyrazol-3-yl)-(2,4,6-trimethylphenyl)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 (2-methylpyrazol-3-yl)-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 114972636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).