N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(2H-tetrazol-5-yl)benzamide

C16H19N7O2 — CID 74241488

IUPACN-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(2H-tetrazol-5-yl)benzamide
SMILESCOCCN(Cc1cnn(C)c1)C(=O)c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C16H19N7O2/c1-22-10-12(9-17-22)11-23(7-8-25-2)16(24)14-6-4-3-5-13(14)15-18-20-21-19-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,19,20,21)
InChIKeyMDIDOIRQKVOULU-UHFFFAOYSA-N
MW341.38 g/mol
LogP0.89
Rot. Bonds7

About N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(2H-tetrazol-5-yl)benzamide

N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(2H-tetrazol-5-yl)benzamide (PubChem CID 74241488) has the molecular formula C16H19N7O2 and a molecular weight of 341.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(2H-tetrazol-5-yl)benzamide
PubChem CID74241488
Molecular FormulaC16H19N7O2
Molecular Weight341.38 g/mol
Exact Mass341.16
IUPAC NameN-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(2H-tetrazol-5-yl)benzamide
SMILESCOCCN(Cc1cnn(C)c1)C(=O)c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C16H19N7O2/c1-22-10-12(9-17-22)11-23(7-8-25-2)16(24)14-6-4-3-5-13(14)15-18-20-21-19-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,19,20,21)
InChIKeyMDIDOIRQKVOULU-UHFFFAOYSA-N
XLogP0.89
TPSA101.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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ethyl 4-[2-methoxyethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-2-methylpyrimidine-5-carboxylate
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2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-(2-methoxyethyl)-N-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(2H-tetrazol-5-yl)benzamide (CID 74241488) is N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(2H-tetrazol-5-yl)benzamide is COCCN(Cc1cnn(C)c1)C(=O)c1ccccc1-c1nn[nH]n1.
What is the InChIKey of N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(2H-tetrazol-5-yl)benzamide?
The InChIKey is MDIDOIRQKVOULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O2/c1-22-10-12(9-17-22)11-23(7-8-25-2)16(24)14-6-4-3-5-13(14)15-18-20-21-19-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,19,20,21).
What are the key properties of N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(2H-tetrazol-5-yl)benzamide?
N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(2H-tetrazol-5-yl)benzamide has a molecular weight of 341.38 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 74241488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).