N-(5-ethyl-1H-pyrazol-3-yl)-3-(2H-tetrazol-5-yl)benzamide

C13H13N7O — CID 104619491

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-3-(2H-tetrazol-5-yl)benzamide
SMILESCCc1cc(NC(=O)c2cccc(-c3nn[nH]n3)c2)n[nH]1
InChIInChI=1S/C13H13N7O/c1-2-10-7-11(16-15-10)14-13(21)9-5-3-4-8(6-9)12-17-19-20-18-12/h3-7H,2H2,1H3,(H2,14,15,16,21)(H,17,18,19,20)
InChIKeyUPFZONSIHZHFKR-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.40
Rot. Bonds4

About N-(5-ethyl-1H-pyrazol-3-yl)-3-(2H-tetrazol-5-yl)benzamide

N-(5-ethyl-1H-pyrazol-3-yl)-3-(2H-tetrazol-5-yl)benzamide (PubChem CID 104619491) has the molecular formula C13H13N7O and a molecular weight of 283.30 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-3-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-3-(2H-tetrazol-5-yl)benzamide
PubChem CID104619491
Molecular FormulaC13H13N7O
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-3-(2H-tetrazol-5-yl)benzamide
SMILESCCc1cc(NC(=O)c2cccc(-c3nn[nH]n3)c2)n[nH]1
InChIInChI=1S/C13H13N7O/c1-2-10-7-11(16-15-10)14-13(21)9-5-3-4-8(6-9)12-17-19-20-18-12/h3-7H,2H2,1H3,(H2,14,15,16,21)(H,17,18,19,20)
InChIKeyUPFZONSIHZHFKR-UHFFFAOYSA-N
XLogP1.40
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 47423213
3-amino-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 113433320
N-(5-ethyl-1H-pyrazol-3-yl)-3-iodobenzamide
CID 47423222
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2H-tetrazol-5-yl)benzamide
CID 43546652
N-(5-ethyl-1H-pyrazol-3-yl)quinoxaline-6-carboxamide
CID 115884080
N-quinolin-8-yl-3-(2H-tetrazol-5-yl)benzamide
CID 167805727
3-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17126994
4-(carbamoylamino)-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 115593799
2,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 113433751
2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
CID 43355204
N-(5-ethyl-1H-pyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 47423364
N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzamide
CID 47423207

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-3-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-3-(2H-tetrazol-5-yl)benzamide (CID 104619491) is N-(5-ethyl-1H-pyrazol-3-yl)-3-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-3-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-3-(2H-tetrazol-5-yl)benzamide is CCc1cc(NC(=O)c2cccc(-c3nn[nH]n3)c2)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-3-(2H-tetrazol-5-yl)benzamide?
The InChIKey is UPFZONSIHZHFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O/c1-2-10-7-11(16-15-10)14-13(21)9-5-3-4-8(6-9)12-17-19-20-18-12/h3-7H,2H2,1H3,(H2,14,15,16,21)(H,17,18,19,20).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-3-(2H-tetrazol-5-yl)benzamide?
N-(5-ethyl-1H-pyrazol-3-yl)-3-(2H-tetrazol-5-yl)benzamide has a molecular weight of 283.30 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)-3-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 104619491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).