(4-methoxyphenyl)-(3,4,5-trimethylpyrazol-1-yl)methanone

C14H16N2O2 — CID 17170079

IUPAC(4-methoxyphenyl)-(3,4,5-trimethylpyrazol-1-yl)methanone
SMILESCOc1ccc(C(=O)n2nc(C)c(C)c2C)cc1
InChIInChI=1S/C14H16N2O2/c1-9-10(2)15-16(11(9)3)14(17)12-5-7-13(18-4)8-6-12/h5-8H,1-4H3
InChIKeyVAGMZSXNGROGBN-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.51
Rot. Bonds2

About (4-methoxyphenyl)-(3,4,5-trimethylpyrazol-1-yl)methanone

(4-methoxyphenyl)-(3,4,5-trimethylpyrazol-1-yl)methanone (PubChem CID 17170079) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is (4-methoxyphenyl)-(3,4,5-trimethylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(3,4,5-trimethylpyrazol-1-yl)methanone
PubChem CID17170079
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name(4-methoxyphenyl)-(3,4,5-trimethylpyrazol-1-yl)methanone
SMILESCOc1ccc(C(=O)n2nc(C)c(C)c2C)cc1
InChIInChI=1S/C14H16N2O2/c1-9-10(2)15-16(11(9)3)14(17)12-5-7-13(18-4)8-6-12/h5-8H,1-4H3
InChIKeyVAGMZSXNGROGBN-UHFFFAOYSA-N
XLogP2.51
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-3,5-dimethyl-
CID 686254
(4-Bromo-3,5-dimethylpyrazol-1-yl)(4-methoxyphenyl)methanone
CID 714833
Pyrazole, 3,5-dimethyl-1-(3,4,5-trimethoxybenzoyl)-
CID 737529
(3,4,5-Trimethoxy-phenyl)-(3,4,5-trimethyl-pyrazol-1-yl)-methanone
CID 753830
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-2-methoxybenzamide
CID 658803
N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-methoxybenzamide
CID 658976
1-(2-ethoxybenzoyl)-3,5-dimethyl-1H-pyrazole
CID 898261
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 135753063
5-Amino-1-(4-methoxybenzoyl)pyrazole-3,4-dicarbonitrile
CID 945667
(3,5-dimethyl-1H-pyrazol-1-yl)(4-methoxyphenyl)methanone
CID 910410
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-3,4-dimethoxybenzamide
CID 658857
1-(4-methoxybenzoyl)-3-methyl-N-phenyl-1H-pyrazol-5-amine
CID 867969

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(3,4,5-trimethylpyrazol-1-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(3,4,5-trimethylpyrazol-1-yl)methanone (CID 17170079) is (4-methoxyphenyl)-(3,4,5-trimethylpyrazol-1-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(3,4,5-trimethylpyrazol-1-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(3,4,5-trimethylpyrazol-1-yl)methanone is COc1ccc(C(=O)n2nc(C)c(C)c2C)cc1.
What is the InChIKey of (4-methoxyphenyl)-(3,4,5-trimethylpyrazol-1-yl)methanone?
The InChIKey is VAGMZSXNGROGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-10(2)15-16(11(9)3)14(17)12-5-7-13(18-4)8-6-12/h5-8H,1-4H3.
What are the key properties of (4-methoxyphenyl)-(3,4,5-trimethylpyrazol-1-yl)methanone?
(4-methoxyphenyl)-(3,4,5-trimethylpyrazol-1-yl)methanone has a molecular weight of 244.29 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(3,4,5-trimethylpyrazol-1-yl)methanone is sourced from PubChem (CID 17170079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).