N-(1-methylpyrazol-3-yl)-2-(tetrazol-1-yl)benzamide

C12H11N7O — CID 51278223

IUPACN-(1-methylpyrazol-3-yl)-2-(tetrazol-1-yl)benzamide
SMILESCn1ccc(NC(=O)c2ccccc2-n2cnnn2)n1
InChIInChI=1S/C12H11N7O/c1-18-7-6-11(15-18)14-12(20)9-4-2-3-5-10(9)19-8-13-16-17-19/h2-8H,1H3,(H,14,15,20)
InChIKeyRYODNANPHZVCCE-UHFFFAOYSA-N
MW269.27 g/mol
LogP0.65
Rot. Bonds3

About N-(1-methylpyrazol-3-yl)-2-(tetrazol-1-yl)benzamide

N-(1-methylpyrazol-3-yl)-2-(tetrazol-1-yl)benzamide (PubChem CID 51278223) has the molecular formula C12H11N7O and a molecular weight of 269.27 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-2-(tetrazol-1-yl)benzamide
PubChem CID51278223
Molecular FormulaC12H11N7O
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC NameN-(1-methylpyrazol-3-yl)-2-(tetrazol-1-yl)benzamide
SMILESCn1ccc(NC(=O)c2ccccc2-n2cnnn2)n1
InChIInChI=1S/C12H11N7O/c1-18-7-6-11(15-18)14-12(20)9-4-2-3-5-10(9)19-8-13-16-17-19/h2-8H,1H3,(H,14,15,20)
InChIKeyRYODNANPHZVCCE-UHFFFAOYSA-N
XLogP0.65
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-chloro-2-(tetrazol-1-yl)benzamide
CID 91422333
N-[4-(2-methylpropanoylamino)phenyl]-2-(tetrazol-1-yl)benzamide
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N-(5-methylhexan-2-yl)-2-(tetrazol-1-yl)benzamide
CID 78789374
2-(tetrazol-1-yl)-N-(1,3-thiazol-2-yl)benzamide
CID 2442002
N-(1-methoxypropan-2-yl)-2-(tetrazol-1-yl)benzamide
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N-[2-(ethylamino)ethyl]-2-(tetrazol-1-yl)benzamide;hydrochloride
CID 119506175
2-(tetrazol-1-yl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 71829200
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide
CID 51153622
2-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51247813
N-(2-acetylphenyl)-5-bromo-2-(tetrazol-1-yl)benzamide
CID 29135709
N-[1-(2,5-dimethylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 42893682
N-dibenzofuran-3-yl-2-(tetrazol-1-yl)benzamide
CID 60553387

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-2-(tetrazol-1-yl)benzamide (CID 51278223) is N-(1-methylpyrazol-3-yl)-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-2-(tetrazol-1-yl)benzamide is Cn1ccc(NC(=O)c2ccccc2-n2cnnn2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-2-(tetrazol-1-yl)benzamide?
The InChIKey is RYODNANPHZVCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7O/c1-18-7-6-11(15-18)14-12(20)9-4-2-3-5-10(9)19-8-13-16-17-19/h2-8H,1H3,(H,14,15,20).
What are the key properties of N-(1-methylpyrazol-3-yl)-2-(tetrazol-1-yl)benzamide?
N-(1-methylpyrazol-3-yl)-2-(tetrazol-1-yl)benzamide has a molecular weight of 269.27 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 51278223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).