N-(1H-pyrazol-5-ylmethyl)-4-(tetrazol-1-yl)benzamide

C12H11N7O — CID 47285769

IUPACN-(1H-pyrazol-5-ylmethyl)-4-(tetrazol-1-yl)benzamide
SMILESO=C(NCc1ccn[nH]1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C12H11N7O/c20-12(13-7-10-5-6-14-16-10)9-1-3-11(4-2-9)19-8-15-17-18-19/h1-6,8H,7H2,(H,13,20)(H,14,16)
InChIKeyDDQTVQXBVGVKJK-UHFFFAOYSA-N
MW269.27 g/mol
LogP0.32
Rot. Bonds4

About N-(1H-pyrazol-5-ylmethyl)-4-(tetrazol-1-yl)benzamide

N-(1H-pyrazol-5-ylmethyl)-4-(tetrazol-1-yl)benzamide (PubChem CID 47285769) has the molecular formula C12H11N7O and a molecular weight of 269.27 g/mol. Its IUPAC name is N-(1H-pyrazol-5-ylmethyl)-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-ylmethyl)-4-(tetrazol-1-yl)benzamide
PubChem CID47285769
Molecular FormulaC12H11N7O
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC NameN-(1H-pyrazol-5-ylmethyl)-4-(tetrazol-1-yl)benzamide
SMILESO=C(NCc1ccn[nH]1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C12H11N7O/c20-12(13-7-10-5-6-14-16-10)9-1-3-11(4-2-9)19-8-15-17-18-19/h1-6,8H,7H2,(H,13,20)(H,14,16)
InChIKeyDDQTVQXBVGVKJK-UHFFFAOYSA-N
XLogP0.32
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-iodo-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 47204233
4-(tetrazol-1-yl)benzohydrazide
CID 2114009
N-[3-(methylamino)propyl]-4-(tetrazol-1-yl)benzamide
CID 43600862
5-[[4-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
CID 62033210
N-(2-hydroxy-2-methylpropyl)-4-(tetrazol-1-yl)benzamide
CID 65109439
N-(2-ethylbutyl)-4-(tetrazol-1-yl)benzamide
CID 115612743
2-hydroxy-2-methyl-3-[[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid
CID 66172388
2-methyl-N-(1H-pyrazol-5-ylmethyl)-5-(tetrazol-1-yl)aniline
CID 43700438
N-[2-(ethylamino)ethyl]-4-(tetrazol-1-yl)benzamide
CID 55101010
4-(2,2-dimethylpropyl)-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 137435463
N-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide
CID 60975279
N-[2-(4-fluorophenoxy)ethyl]-4-(tetrazol-1-yl)benzamide
CID 37363321

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-ylmethyl)-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(1H-pyrazol-5-ylmethyl)-4-(tetrazol-1-yl)benzamide (CID 47285769) is N-(1H-pyrazol-5-ylmethyl)-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(1H-pyrazol-5-ylmethyl)-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(1H-pyrazol-5-ylmethyl)-4-(tetrazol-1-yl)benzamide is O=C(NCc1ccn[nH]1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-(1H-pyrazol-5-ylmethyl)-4-(tetrazol-1-yl)benzamide?
The InChIKey is DDQTVQXBVGVKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7O/c20-12(13-7-10-5-6-14-16-10)9-1-3-11(4-2-9)19-8-15-17-18-19/h1-6,8H,7H2,(H,13,20)(H,14,16).
What are the key properties of N-(1H-pyrazol-5-ylmethyl)-4-(tetrazol-1-yl)benzamide?
N-(1H-pyrazol-5-ylmethyl)-4-(tetrazol-1-yl)benzamide has a molecular weight of 269.27 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-ylmethyl)-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 47285769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).