N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2H-tetrazol-5-yl)benzamide

C13H13N7O — CID 43546652

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2H-tetrazol-5-yl)benzamide
SMILESCc1n[nH]c(C)c1NC(=O)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C13H13N7O/c1-7-11(8(2)16-15-7)14-13(21)10-5-3-4-9(6-10)12-17-19-20-18-12/h3-6H,1-2H3,(H,14,21)(H,15,16)(H,17,18,19,20)
InChIKeyOAGJKQMPFGEGIO-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.46
Rot. Bonds3

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2H-tetrazol-5-yl)benzamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2H-tetrazol-5-yl)benzamide (PubChem CID 43546652) has the molecular formula C13H13N7O and a molecular weight of 283.30 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2H-tetrazol-5-yl)benzamide
PubChem CID43546652
Molecular FormulaC13H13N7O
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2H-tetrazol-5-yl)benzamide
SMILESCc1n[nH]c(C)c1NC(=O)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C13H13N7O/c1-7-11(8(2)16-15-7)14-13(21)10-5-3-4-9(6-10)12-17-19-20-18-12/h3-6H,1-2H3,(H,14,21)(H,15,16)(H,17,18,19,20)
InChIKeyOAGJKQMPFGEGIO-UHFFFAOYSA-N
XLogP1.46
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide
CID 894729
N-(5-ethyl-1H-pyrazol-3-yl)-3-(2H-tetrazol-5-yl)benzamide
CID 104619491
N-quinolin-8-yl-3-(2H-tetrazol-5-yl)benzamide
CID 167805727
N-(3,5-dimethyl-1H-pyrazol-4-yl)naphthalene-2-carboxamide
CID 43399081
2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
CID 43355204
3,4-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
CID 43399198
3-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17126994
2-oxo-N-[3-(2H-tetrazol-5-yl)phenyl]-1H-pyridine-4-carboxamide
CID 103763580
N-(1-hydroxy-3-methylbutan-2-yl)-3-(2H-tetrazol-5-yl)benzamide
CID 79252952
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-benzodioxole-5-carboxamide
CID 43399101
3,4-dichloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17163668
N-(3-amino-2-hydroxy-3-oxopropyl)-3-(2H-tetrazol-5-yl)benzamide
CID 106166243

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2H-tetrazol-5-yl)benzamide (CID 43546652) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2H-tetrazol-5-yl)benzamide is Cc1n[nH]c(C)c1NC(=O)c1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2H-tetrazol-5-yl)benzamide?
The InChIKey is OAGJKQMPFGEGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O/c1-7-11(8(2)16-15-7)14-13(21)10-5-3-4-9(6-10)12-17-19-20-18-12/h3-6H,1-2H3,(H,14,21)(H,15,16)(H,17,18,19,20).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2H-tetrazol-5-yl)benzamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2H-tetrazol-5-yl)benzamide has a molecular weight of 283.30 g/mol, XLogP of 1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 43546652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).