N-(2-butan-2-ylpyrazol-3-yl)-4-methoxybenzamide

C15H19N3O2 — CID 56725907

IUPACN-(2-butan-2-ylpyrazol-3-yl)-4-methoxybenzamide
SMILESCCC(C)n1nccc1NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C15H19N3O2/c1-4-11(2)18-14(9-10-16-18)17-15(19)12-5-7-13(20-3)8-6-12/h5-11H,4H2,1-3H3,(H,17,19)
InChIKeyMWLKIJFVMIZKLY-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.12
Rot. Bonds5

About N-(2-butan-2-ylpyrazol-3-yl)-4-methoxybenzamide

N-(2-butan-2-ylpyrazol-3-yl)-4-methoxybenzamide (PubChem CID 56725907) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(2-butan-2-ylpyrazol-3-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-butan-2-ylpyrazol-3-yl)-4-methoxybenzamide
PubChem CID56725907
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(2-butan-2-ylpyrazol-3-yl)-4-methoxybenzamide
SMILESCCC(C)n1nccc1NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C15H19N3O2/c1-4-11(2)18-14(9-10-16-18)17-15(19)12-5-7-13(20-3)8-6-12/h5-11H,4H2,1-3H3,(H,17,19)
InChIKeyMWLKIJFVMIZKLY-UHFFFAOYSA-N
XLogP3.12
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-butan-2-ylpyrazol-3-yl)-3-ethoxy-4-methoxybenzamide
CID 78778552
N-(2-butan-2-ylpyrazol-3-yl)-2-(4-methoxyphenoxy)acetamide
CID 43843335
N-(2-butan-2-ylpyrazol-3-yl)-4-(difluoromethylsulfanyl)benzamide
CID 134025818
N-(2-butan-2-ylpyrazol-3-yl)-3,5-dichloro-4-methoxybenzamide
CID 134049613
N-(2-butan-2-ylpyrazol-3-yl)-3,4,5-triethoxybenzamide
CID 78778639
N-(2-butan-2-ylpyrazol-3-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 78778466
N-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide
CID 87023937
N-(2-butan-2-ylpyrazol-3-yl)thiophene-3-carboxamide
CID 134025810
N-(2-butan-2-ylpyrazol-3-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 78829285
N-(2-butan-2-ylpyrazol-3-yl)-4-(2-oxopiperidin-1-yl)benzamide
CID 134041028
N-(2-butan-2-ylpyrazol-3-yl)-2-chlorobenzamide
CID 78793939
N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-4-(2-methylpropoxy)benzamide
CID 35579716

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-4-methoxybenzamide?
The IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-4-methoxybenzamide (CID 56725907) is N-(2-butan-2-ylpyrazol-3-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(2-butan-2-ylpyrazol-3-yl)-4-methoxybenzamide?
The canonical SMILES for N-(2-butan-2-ylpyrazol-3-yl)-4-methoxybenzamide is CCC(C)n1nccc1NC(=O)c1ccc(OC)cc1.
What is the InChIKey of N-(2-butan-2-ylpyrazol-3-yl)-4-methoxybenzamide?
The InChIKey is MWLKIJFVMIZKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-11(2)18-14(9-10-16-18)17-15(19)12-5-7-13(20-3)8-6-12/h5-11H,4H2,1-3H3,(H,17,19).
What are the key properties of N-(2-butan-2-ylpyrazol-3-yl)-4-methoxybenzamide?
N-(2-butan-2-ylpyrazol-3-yl)-4-methoxybenzamide has a molecular weight of 273.34 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylpyrazol-3-yl)-4-methoxybenzamide is sourced from PubChem (CID 56725907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).