(1-methylpyrazol-4-yl)-phenylmethanone

C11H10N2O — CID 13334060

IUPAC(1-methylpyrazol-4-yl)-phenylmethanone
SMILESCn1cc(C(=O)c2ccccc2)cn1
InChIInChI=1S/C11H10N2O/c1-13-8-10(7-12-13)11(14)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyYGZWBAHIQAMPQF-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.65
Rot. Bonds2

About (1-methylpyrazol-4-yl)-phenylmethanone

(1-methylpyrazol-4-yl)-phenylmethanone (PubChem CID 13334060) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-phenylmethanone
PubChem CID13334060
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name(1-methylpyrazol-4-yl)-phenylmethanone
SMILESCn1cc(C(=O)c2ccccc2)cn1
InChIInChI=1S/C11H10N2O/c1-13-8-10(7-12-13)11(14)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyYGZWBAHIQAMPQF-UHFFFAOYSA-N
XLogP1.65
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde
CID 2063316
(1,3-dimethyl-1H-pyrazol-4-yl)(phenyl)methanone
CID 673348
1-Phenyl-2-(1H-pyrazol-1-yl)ethanone
CID 2766375
1-benzyl-3-(4-ethylphenyl)-1H-pyrazole-4-carbaldehyde
CID 2446579
1-Benzyl-1H-pyrazole-4-carbaldehyde
CID 6484676
3-(1,3-dimethyl-1H-pyrazol-4-yl)-1-phenyl-2-propen-1-one
CID 5794107
3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-1-phenyl-2-propen-1-one
CID 6018480
3-(1,5-dimethyl-1H-pyrazol-4-yl)-1-(4-isopropylphenyl)-2-propen-1-one
CID 6156913
3-Phenyl-1-(phenylmethyl)-1H-pyrazole-4-carboxaldehyde
CID 2973279
3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-1H-pyrazole-4-carbaldehyde
CID 2063317
biphenyl-4-yl{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methanone
CID 16188335
{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}(2-fluorobiphenyl-4-yl)methanone
CID 16190479

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-phenylmethanone?
The IUPAC name of (1-methylpyrazol-4-yl)-phenylmethanone (CID 13334060) is (1-methylpyrazol-4-yl)-phenylmethanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-phenylmethanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-phenylmethanone is Cn1cc(C(=O)c2ccccc2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-phenylmethanone?
The InChIKey is YGZWBAHIQAMPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-13-8-10(7-12-13)11(14)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-phenylmethanone?
(1-methylpyrazol-4-yl)-phenylmethanone has a molecular weight of 186.21 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-phenylmethanone is sourced from PubChem (CID 13334060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).