2-methoxy-4-methyl-N-[1-(2-methylpropyl)pyrazol-4-yl]benzamide

C16H21N3O2 — CID 136533991

IUPAC2-methoxy-4-methyl-N-[1-(2-methylpropyl)pyrazol-4-yl]benzamide
SMILESCOc1cc(C)ccc1C(=O)Nc1cnn(CC(C)C)c1
InChIInChI=1S/C16H21N3O2/c1-11(2)9-19-10-13(8-17-19)18-16(20)14-6-5-12(3)7-15(14)21-4/h5-8,10-11H,9H2,1-4H3,(H,18,20)
InChIKeyKUDQKAUFNJKXCP-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.11
Rot. Bonds5

About 2-methoxy-4-methyl-N-[1-(2-methylpropyl)pyrazol-4-yl]benzamide

2-methoxy-4-methyl-N-[1-(2-methylpropyl)pyrazol-4-yl]benzamide (PubChem CID 136533991) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-methoxy-4-methyl-N-[1-(2-methylpropyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-4-methyl-N-[1-(2-methylpropyl)pyrazol-4-yl]benzamide
PubChem CID136533991
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-methoxy-4-methyl-N-[1-(2-methylpropyl)pyrazol-4-yl]benzamide
SMILESCOc1cc(C)ccc1C(=O)Nc1cnn(CC(C)C)c1
InChIInChI=1S/C16H21N3O2/c1-11(2)9-19-10-13(8-17-19)18-16(20)14-6-5-12(3)7-15(14)21-4/h5-8,10-11H,9H2,1-4H3,(H,18,20)
InChIKeyKUDQKAUFNJKXCP-UHFFFAOYSA-N
XLogP3.11
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(1-ethylpyrazol-4-yl)-5-methylbenzamide
CID 80979734
2-(methylamino)-N-[1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 119809382
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,4-dimethoxybenzamide
CID 19399965
2-methoxy-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410106
2,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401831
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2,4-dimethylbenzamide
CID 19404033
3-[(2,5-dimethylphenoxy)methyl]-4-methoxy-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19410996
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-2,4-dimethylbenzamide
CID 19406519
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-fluoro-4-hydroxybenzamide
CID 86783234
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide
CID 19407730
2,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19336310
N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-methoxy-4-methylbenzamide
CID 136533897

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-N-[1-(2-methylpropyl)pyrazol-4-yl]benzamide?
The IUPAC name of 2-methoxy-4-methyl-N-[1-(2-methylpropyl)pyrazol-4-yl]benzamide (CID 136533991) is 2-methoxy-4-methyl-N-[1-(2-methylpropyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 2-methoxy-4-methyl-N-[1-(2-methylpropyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 2-methoxy-4-methyl-N-[1-(2-methylpropyl)pyrazol-4-yl]benzamide is COc1cc(C)ccc1C(=O)Nc1cnn(CC(C)C)c1.
What is the InChIKey of 2-methoxy-4-methyl-N-[1-(2-methylpropyl)pyrazol-4-yl]benzamide?
The InChIKey is KUDQKAUFNJKXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(2)9-19-10-13(8-17-19)18-16(20)14-6-5-12(3)7-15(14)21-4/h5-8,10-11H,9H2,1-4H3,(H,18,20).
What are the key properties of 2-methoxy-4-methyl-N-[1-(2-methylpropyl)pyrazol-4-yl]benzamide?
2-methoxy-4-methyl-N-[1-(2-methylpropyl)pyrazol-4-yl]benzamide has a molecular weight of 287.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-N-[1-(2-methylpropyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 136533991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).