3-propan-2-yloxy-N-(1-propan-2-ylpyrazol-4-yl)benzamide

C16H21N3O2 — CID 134702922

IUPAC3-propan-2-yloxy-N-(1-propan-2-ylpyrazol-4-yl)benzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2cnn(C(C)C)c2)c1
InChIInChI=1S/C16H21N3O2/c1-11(2)19-10-14(9-17-19)18-16(20)13-6-5-7-15(8-13)21-12(3)4/h5-12H,1-4H3,(H,18,20)
InChIKeyNYGRIQGQZRSQSE-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.50
Rot. Bonds5

About 3-propan-2-yloxy-N-(1-propan-2-ylpyrazol-4-yl)benzamide

3-propan-2-yloxy-N-(1-propan-2-ylpyrazol-4-yl)benzamide (PubChem CID 134702922) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-(1-propan-2-ylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-propan-2-yloxy-N-(1-propan-2-ylpyrazol-4-yl)benzamide
PubChem CID134702922
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-propan-2-yloxy-N-(1-propan-2-ylpyrazol-4-yl)benzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2cnn(C(C)C)c2)c1
InChIInChI=1S/C16H21N3O2/c1-11(2)19-10-14(9-17-19)18-16(20)13-6-5-7-15(8-13)21-12(3)4/h5-12H,1-4H3,(H,18,20)
InChIKeyNYGRIQGQZRSQSE-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-carboxamide
CID 62904126
N-(3,5-dichlorophenyl)-3-propan-2-yloxybenzamide
CID 4318037
3-propan-2-yloxy-N-[4-[[4-[(3-propan-2-yloxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 17142916
N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide
CID 8779117
dimethyl 5-[(3-propan-2-yloxybenzoyl)amino]benzene-1,3-dicarboxylate
CID 1339052
6-bromo-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carboxamide
CID 66462563
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
6-oxo-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyridine-3-carboxamide
CID 62904281
2-(3-methoxyphenyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-4-carboxamide
CID 75389681
N-(1,2-oxazol-3-yl)-3-propan-2-yloxybenzamide
CID 17217707
N-(3-bromo-4-fluorophenyl)-3-propan-2-yloxybenzamide
CID 104779320
N-(3-amino-4-bromophenyl)-3-propan-2-yloxybenzamide
CID 79753661

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-N-(1-propan-2-ylpyrazol-4-yl)benzamide?
The IUPAC name of 3-propan-2-yloxy-N-(1-propan-2-ylpyrazol-4-yl)benzamide (CID 134702922) is 3-propan-2-yloxy-N-(1-propan-2-ylpyrazol-4-yl)benzamide.
What is the SMILES notation for 3-propan-2-yloxy-N-(1-propan-2-ylpyrazol-4-yl)benzamide?
The canonical SMILES for 3-propan-2-yloxy-N-(1-propan-2-ylpyrazol-4-yl)benzamide is CC(C)Oc1cccc(C(=O)Nc2cnn(C(C)C)c2)c1.
What is the InChIKey of 3-propan-2-yloxy-N-(1-propan-2-ylpyrazol-4-yl)benzamide?
The InChIKey is NYGRIQGQZRSQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(2)19-10-14(9-17-19)18-16(20)13-6-5-7-15(8-13)21-12(3)4/h5-12H,1-4H3,(H,18,20).
What are the key properties of 3-propan-2-yloxy-N-(1-propan-2-ylpyrazol-4-yl)benzamide?
3-propan-2-yloxy-N-(1-propan-2-ylpyrazol-4-yl)benzamide has a molecular weight of 287.36 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-(1-propan-2-ylpyrazol-4-yl)benzamide is sourced from PubChem (CID 134702922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).