3,4-dimethyl-N-(2-pyrazol-1-ylethyl)-2-(tetrazol-1-yl)benzamide

C15H17N7O — CID 110204357

IUPAC3,4-dimethyl-N-(2-pyrazol-1-ylethyl)-2-(tetrazol-1-yl)benzamide
SMILESCc1ccc(C(=O)NCCn2cccn2)c(-n2cnnn2)c1C
InChIInChI=1S/C15H17N7O/c1-11-4-5-13(14(12(11)2)22-10-17-19-20-22)15(23)16-7-9-21-8-3-6-18-21/h3-6,8,10H,7,9H2,1-2H3,(H,16,23)
InChIKeyOKOIFDWVTOKUSB-UHFFFAOYSA-N
MW311.35 g/mol
LogP0.91
Rot. Bonds5

About 3,4-dimethyl-N-(2-pyrazol-1-ylethyl)-2-(tetrazol-1-yl)benzamide

3,4-dimethyl-N-(2-pyrazol-1-ylethyl)-2-(tetrazol-1-yl)benzamide (PubChem CID 110204357) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is 3,4-dimethyl-N-(2-pyrazol-1-ylethyl)-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(2-pyrazol-1-ylethyl)-2-(tetrazol-1-yl)benzamide
PubChem CID110204357
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name3,4-dimethyl-N-(2-pyrazol-1-ylethyl)-2-(tetrazol-1-yl)benzamide
SMILESCc1ccc(C(=O)NCCn2cccn2)c(-n2cnnn2)c1C
InChIInChI=1S/C15H17N7O/c1-11-4-5-13(14(12(11)2)22-10-17-19-20-22)15(23)16-7-9-21-8-3-6-18-21/h3-6,8,10H,7,9H2,1-2H3,(H,16,23)
InChIKeyOKOIFDWVTOKUSB-UHFFFAOYSA-N
XLogP0.91
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-3,4-dimethyl-2-(tetrazol-1-yl)benzamide
CID 51049276
2-amino-N-(2-pyrazol-1-ylethyl)benzamide
CID 61459954
3,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzamide
CID 39854489
2-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 61460888
3-amino-5-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzamide
CID 107872526
4-amino-2-chloro-N-(2-pyrazol-1-ylethyl)benzamide
CID 54951477
3-fluoro-2-(methylamino)-N-(2-pyrazol-1-ylethyl)benzamide
CID 55100061
2,6-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 35525598
N-[2-(ethylamino)ethyl]-2-(tetrazol-1-yl)benzamide;hydrochloride
CID 119506175
4-chloro-6-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 81226293
3,4-dihydroxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 103956702
3-(propylamino)-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide
CID 105069612

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(2-pyrazol-1-ylethyl)-2-(tetrazol-1-yl)benzamide?
The IUPAC name of 3,4-dimethyl-N-(2-pyrazol-1-ylethyl)-2-(tetrazol-1-yl)benzamide (CID 110204357) is 3,4-dimethyl-N-(2-pyrazol-1-ylethyl)-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 3,4-dimethyl-N-(2-pyrazol-1-ylethyl)-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for 3,4-dimethyl-N-(2-pyrazol-1-ylethyl)-2-(tetrazol-1-yl)benzamide is Cc1ccc(C(=O)NCCn2cccn2)c(-n2cnnn2)c1C.
What is the InChIKey of 3,4-dimethyl-N-(2-pyrazol-1-ylethyl)-2-(tetrazol-1-yl)benzamide?
The InChIKey is OKOIFDWVTOKUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c1-11-4-5-13(14(12(11)2)22-10-17-19-20-22)15(23)16-7-9-21-8-3-6-18-21/h3-6,8,10H,7,9H2,1-2H3,(H,16,23).
What are the key properties of 3,4-dimethyl-N-(2-pyrazol-1-ylethyl)-2-(tetrazol-1-yl)benzamide?
3,4-dimethyl-N-(2-pyrazol-1-ylethyl)-2-(tetrazol-1-yl)benzamide has a molecular weight of 311.35 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(2-pyrazol-1-ylethyl)-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 110204357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).