(2-methylphenyl)-pyrazol-1-ylmethanone

C11H10N2O — CID 685230

IUPAC(2-methylphenyl)-pyrazol-1-ylmethanone
SMILESCc1ccccc1C(=O)n1cccn1
InChIInChI=1S/C11H10N2O/c1-9-5-2-3-6-10(9)11(14)13-8-4-7-12-13/h2-8H,1H3
InChIKeyRYSRFZOAAPABLM-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.88
Rot. Bonds1

About (2-methylphenyl)-pyrazol-1-ylmethanone

(2-methylphenyl)-pyrazol-1-ylmethanone (PubChem CID 685230) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is (2-methylphenyl)-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name(2-methylphenyl)-pyrazol-1-ylmethanone
PubChem CID685230
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name(2-methylphenyl)-pyrazol-1-ylmethanone
SMILESCc1ccccc1C(=O)n1cccn1
InChIInChI=1S/C11H10N2O/c1-9-5-2-3-6-10(9)11(14)13-8-4-7-12-13/h2-8H,1H3
InChIKeyRYSRFZOAAPABLM-UHFFFAOYSA-N
XLogP1.88
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromopyrazol-1-yl)-(2-methylphenyl)methanone
CID 674650
(3,4-dimethylphenyl)-pyrazol-1-ylmethanone
CID 4592598
1-benzothiophen-3-yl(pyrazol-1-yl)methanone
CID 841465
[6-(pyrazole-1-carbonyl)-2-pyridinyl]-pyrazol-1-ylmethanone
CID 3508753
[2-(3,4-dimethylphenyl)-8-methylquinolin-4-yl]-pyrazol-1-ylmethanone
CID 17373725
carbanide;1-(2-methylphenyl)ethanone;tris(yttrium)
CID 160605653
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
(2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 896524
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
(4-bromo-1,5-dimethylpyrazol-3-yl)-pyrazol-1-ylmethanone
CID 844781
ethane;1-(2-methylphenyl)ethanone
CID 91374073

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-pyrazol-1-ylmethanone?
The IUPAC name of (2-methylphenyl)-pyrazol-1-ylmethanone (CID 685230) is (2-methylphenyl)-pyrazol-1-ylmethanone.
What is the SMILES notation for (2-methylphenyl)-pyrazol-1-ylmethanone?
The canonical SMILES for (2-methylphenyl)-pyrazol-1-ylmethanone is Cc1ccccc1C(=O)n1cccn1.
What is the InChIKey of (2-methylphenyl)-pyrazol-1-ylmethanone?
The InChIKey is RYSRFZOAAPABLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-9-5-2-3-6-10(9)11(14)13-8-4-7-12-13/h2-8H,1H3.
What are the key properties of (2-methylphenyl)-pyrazol-1-ylmethanone?
(2-methylphenyl)-pyrazol-1-ylmethanone has a molecular weight of 186.21 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-pyrazol-1-ylmethanone is sourced from PubChem (CID 685230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).