2-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)benzamide

C13H12ClN7O — CID 154798269

IUPAC2-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)benzamide
SMILESCn1nccc1CNC(=O)c1ccc(-n2cnnn2)cc1Cl
InChIInChI=1S/C13H12ClN7O/c1-20-10(4-5-17-20)7-15-13(22)11-3-2-9(6-12(11)14)21-8-16-18-19-21/h2-6,8H,7H2,1H3,(H,15,22)
InChIKeyMZTJGMHBMYGIKJ-UHFFFAOYSA-N
MW317.74 g/mol
LogP0.98
Rot. Bonds4

About 2-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)benzamide

2-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 154798269) has the molecular formula C13H12ClN7O and a molecular weight of 317.74 g/mol. Its IUPAC name is 2-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)benzamide
PubChem CID154798269
Molecular FormulaC13H12ClN7O
Molecular Weight317.74 g/mol
Exact Mass317.08
IUPAC Name2-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)benzamide
SMILESCn1nccc1CNC(=O)c1ccc(-n2cnnn2)cc1Cl
InChIInChI=1S/C13H12ClN7O/c1-20-10(4-5-17-20)7-15-13(22)11-3-2-9(6-12(11)14)21-8-16-18-19-21/h2-6,8H,7H2,1H3,(H,15,22)
InChIKeyMZTJGMHBMYGIKJ-UHFFFAOYSA-N
XLogP0.98
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide
CID 111102341
2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-(tetrazol-1-yl)benzamide
CID 120945715
2-chloro-N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-(tetrazol-1-yl)benzamide
CID 136546547
4-amino-3,5-dichloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 82794631
2-chloro-N-(2-methylpropyl)-5-(tetrazol-1-yl)benzamide
CID 42582450
2-chloro-N-[(4-fluorophenyl)methyl]-5-(tetrazol-1-yl)benzamide
CID 29139776
2-chloro-N-[(2-methylpyrazol-3-yl)methyl]-5-nitrobenzamide
CID 63302246
3-bromo-5-chloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 103826536
3-[[2-chloro-4-(tetrazol-1-yl)benzoyl]amino]-N-ethylpyrrolidine-1-carboxamide
CID 154803232
5-chloro-2-(ethylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide
CID 114923526
4-amino-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 55205164
3-chloro-6-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide
CID 55206512

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of 2-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)benzamide (CID 154798269) is 2-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for 2-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)benzamide is Cn1nccc1CNC(=O)c1ccc(-n2cnnn2)cc1Cl.
What is the InChIKey of 2-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is MZTJGMHBMYGIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN7O/c1-20-10(4-5-17-20)7-15-13(22)11-3-2-9(6-12(11)14)21-8-16-18-19-21/h2-6,8H,7H2,1H3,(H,15,22).
What are the key properties of 2-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)benzamide?
2-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 317.74 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 154798269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).