N-(5-methyl-2-propylpyrazol-3-yl)-2-propoxybenzamide

C17H23N3O2 — CID 21250740

IUPACN-(5-methyl-2-propylpyrazol-3-yl)-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)Nc1cc(C)nn1CCC
InChIInChI=1S/C17H23N3O2/c1-4-10-20-16(12-13(3)19-20)18-17(21)14-8-6-7-9-15(14)22-11-5-2/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,21)
InChIKeyOECIOOPGUJNWJD-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.64
Rot. Bonds7

About N-(5-methyl-2-propylpyrazol-3-yl)-2-propoxybenzamide

N-(5-methyl-2-propylpyrazol-3-yl)-2-propoxybenzamide (PubChem CID 21250740) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(5-methyl-2-propylpyrazol-3-yl)-2-propoxybenzamide.

Molecular Properties

Compound NameN-(5-methyl-2-propylpyrazol-3-yl)-2-propoxybenzamide
PubChem CID21250740
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(5-methyl-2-propylpyrazol-3-yl)-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)Nc1cc(C)nn1CCC
InChIInChI=1S/C17H23N3O2/c1-4-10-20-16(12-13(3)19-20)18-17(21)14-8-6-7-9-15(14)22-11-5-2/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,21)
InChIKeyOECIOOPGUJNWJD-UHFFFAOYSA-N
XLogP3.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
2-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 35534339
N-(5-methyl-2-propylpyrazol-3-yl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 134703545
N-(2,5-dimethylphenyl)-2-propoxybenzamide
CID 4947833
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethoxybenzamide
CID 35525612
2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]benzoic acid
CID 43532474
2-propoxy-N-propylbenzamide
CID 58831728
N-(3-acetylphenyl)-2-propoxybenzamide
CID 4947871
2-ethoxy-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]benzamide
CID 55520199
N-butan-2-yl-2-propoxybenzamide
CID 71581291
2-butoxy-N-(4-propoxyphenyl)benzamide
CID 4943156
N-(3,4-dimethylphenyl)-2-[(2-propoxybenzoyl)amino]benzamide
CID 4948024

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-propylpyrazol-3-yl)-2-propoxybenzamide?
The IUPAC name of N-(5-methyl-2-propylpyrazol-3-yl)-2-propoxybenzamide (CID 21250740) is N-(5-methyl-2-propylpyrazol-3-yl)-2-propoxybenzamide.
What is the SMILES notation for N-(5-methyl-2-propylpyrazol-3-yl)-2-propoxybenzamide?
The canonical SMILES for N-(5-methyl-2-propylpyrazol-3-yl)-2-propoxybenzamide is CCCOc1ccccc1C(=O)Nc1cc(C)nn1CCC.
What is the InChIKey of N-(5-methyl-2-propylpyrazol-3-yl)-2-propoxybenzamide?
The InChIKey is OECIOOPGUJNWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-4-10-20-16(12-13(3)19-20)18-17(21)14-8-6-7-9-15(14)22-11-5-2/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,21).
What are the key properties of N-(5-methyl-2-propylpyrazol-3-yl)-2-propoxybenzamide?
N-(5-methyl-2-propylpyrazol-3-yl)-2-propoxybenzamide has a molecular weight of 301.39 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-propylpyrazol-3-yl)-2-propoxybenzamide is sourced from PubChem (CID 21250740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).