(1,3-dimethylpyrazol-4-yl)-phenylmethanone

C12H12N2O — CID 673348

IUPAC(1,3-dimethylpyrazol-4-yl)-phenylmethanone
SMILESCc1nn(C)cc1C(=O)c1ccccc1
InChIInChI=1S/C12H12N2O/c1-9-11(8-14(2)13-9)12(15)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyNZZZKDDWALHWQS-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.96
Rot. Bonds2

About (1,3-dimethylpyrazol-4-yl)-phenylmethanone

(1,3-dimethylpyrazol-4-yl)-phenylmethanone (PubChem CID 673348) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-phenylmethanone
PubChem CID673348
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name(1,3-dimethylpyrazol-4-yl)-phenylmethanone
SMILESCc1nn(C)cc1C(=O)c1ccccc1
InChIInChI=1S/C12H12N2O/c1-9-11(8-14(2)13-9)12(15)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyNZZZKDDWALHWQS-UHFFFAOYSA-N
XLogP1.96
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ibudilast
CID 3671
2-(1H-pyrazol-1-yl)benzaldehyde
CID 965866
1,3-Diphenyl-1H-pyrazole-4-carboxaldehyde
CID 555820
1-benzyl-3-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde
CID 2063316
1-Phenyl-2-(1H-pyrazol-1-yl)ethanone
CID 2766375
1-Methyl-5-phenyl-1H-pyrazole-4-carboxylic acid
CID 2795474
1-benzyl-3-(4-ethylphenyl)-1H-pyrazole-4-carbaldehyde
CID 2446579
1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one
CID 80207
1-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-one
CID 4738557
1-methyl-N'-(4-methylbenzoyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbohydrazide
CID 1488097
[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-N,N-diethylcarboxamide
CID 2471334
(E)-1-(1,3-dimethylpyrazol-4-yl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 5758586

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-phenylmethanone?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-phenylmethanone (CID 673348) is (1,3-dimethylpyrazol-4-yl)-phenylmethanone.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-phenylmethanone?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-phenylmethanone is Cc1nn(C)cc1C(=O)c1ccccc1.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-phenylmethanone?
The InChIKey is NZZZKDDWALHWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-9-11(8-14(2)13-9)12(15)10-6-4-3-5-7-10/h3-8H,1-2H3.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-phenylmethanone?
(1,3-dimethylpyrazol-4-yl)-phenylmethanone has a molecular weight of 200.24 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-phenylmethanone is sourced from PubChem (CID 673348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).