N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-3-(tetrazol-1-yl)benzamide

C13H12N8O2 — CID 56800574

IUPACN-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-3-(tetrazol-1-yl)benzamide
SMILESO=C(CNC(=O)c1cccc(-n2cnnn2)c1)Nc1cn[nH]c1
InChIInChI=1S/C13H12N8O2/c22-12(18-10-5-15-16-6-10)7-14-13(23)9-2-1-3-11(4-9)21-8-17-19-20-21/h1-6,8H,7H2,(H,14,23)(H,15,16)(H,18,22)
InChIKeyCMFKOKULFXUYOS-UHFFFAOYSA-N
MW312.29 g/mol
LogP-0.25
Rot. Bonds5

About N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-3-(tetrazol-1-yl)benzamide

N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 56800574) has the molecular formula C13H12N8O2 and a molecular weight of 312.29 g/mol. Its IUPAC name is N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-3-(tetrazol-1-yl)benzamide
PubChem CID56800574
Molecular FormulaC13H12N8O2
Molecular Weight312.29 g/mol
Exact Mass312.11
IUPAC NameN-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-3-(tetrazol-1-yl)benzamide
SMILESO=C(CNC(=O)c1cccc(-n2cnnn2)c1)Nc1cn[nH]c1
InChIInChI=1S/C13H12N8O2/c22-12(18-10-5-15-16-6-10)7-14-13(23)9-2-1-3-11(4-9)21-8-17-19-20-21/h1-6,8H,7H2,(H,14,23)(H,15,16)(H,18,22)
InChIKeyCMFKOKULFXUYOS-UHFFFAOYSA-N
XLogP-0.25
TPSA130.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2-ethylanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide
CID 31303419
N-(2-ethoxypyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide
CID 122302044
methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 862155
N-(cyclohexylmethyl)-3-(tetrazol-1-yl)benzamide
CID 42997884
N-[3-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide
CID 47367692
N-[1-[4-(propanoylamino)phenyl]ethyl]-3-(tetrazol-1-yl)benzamide
CID 46436898
N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 119627787
3,4-dichloro-N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]benzamide
CID 34812905
N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)anilino]acetamide
CID 25344863
tert-butyl N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]carbamate
CID 51095808
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
N-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide
CID 55700294

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-3-(tetrazol-1-yl)benzamide (CID 56800574) is N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-3-(tetrazol-1-yl)benzamide is O=C(CNC(=O)c1cccc(-n2cnnn2)c1)Nc1cn[nH]c1.
What is the InChIKey of N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is CMFKOKULFXUYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N8O2/c22-12(18-10-5-15-16-6-10)7-14-13(23)9-2-1-3-11(4-9)21-8-17-19-20-21/h1-6,8H,7H2,(H,14,23)(H,15,16)(H,18,22).
What are the key properties of N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-3-(tetrazol-1-yl)benzamide?
N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 312.29 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 56800574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).