2,4,6-trimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide

C16H21N3O — CID 115778074

IUPAC2,4,6-trimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
SMILESCCCc1cc(NC(=O)c2c(C)cc(C)cc2C)n[nH]1
InChIInChI=1S/C16H21N3O/c1-5-6-13-9-14(19-18-13)17-16(20)15-11(3)7-10(2)8-12(15)4/h7-9H,5-6H2,1-4H3,(H2,17,18,19,20)
InChIKeyFQEIWIAUYKANBT-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.54
Rot. Bonds4

About 2,4,6-trimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide

2,4,6-trimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide (PubChem CID 115778074) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
PubChem CID115778074
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2,4,6-trimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
SMILESCCCc1cc(NC(=O)c2c(C)cc(C)cc2C)n[nH]1
InChIInChI=1S/C16H21N3O/c1-5-6-13-9-14(19-18-13)17-16(20)15-11(3)7-10(2)8-12(15)4/h7-9H,5-6H2,1-4H3,(H2,17,18,19,20)
InChIKeyFQEIWIAUYKANBT-UHFFFAOYSA-N
XLogP3.54
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-trifluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115647444
2,4,5-trimethyl-N-(5-propyl-1H-pyrazol-3-yl)furan-3-carboxamide
CID 115621116
3-bromo-5-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104853008
4-bromo-2,6-difluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115686752
2,5-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-carboxamide
CID 113233981
4-fluoro-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 112702658
4-hydroxy-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 103865483
4-fluoro-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115621244
5-methyl-N-(5-propyl-1H-pyrazol-3-yl)furan-3-carboxamide
CID 114821897
4-chloro-1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide
CID 113234268
2-(4-methylphenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 112690378
N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 115747889

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 2,4,6-trimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide (CID 115778074) is 2,4,6-trimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 2,4,6-trimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 2,4,6-trimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide is CCCc1cc(NC(=O)c2c(C)cc(C)cc2C)n[nH]1.
What is the InChIKey of 2,4,6-trimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is FQEIWIAUYKANBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-5-6-13-9-14(19-18-13)17-16(20)15-11(3)7-10(2)8-12(15)4/h7-9H,5-6H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 2,4,6-trimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
2,4,6-trimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 271.36 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 115778074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).