N-[2-(3-fluorophenyl)pyrazol-3-yl]-3-(tetrazol-1-yl)benzamide

C17H12FN7O — CID 122138944

IUPACN-[2-(3-fluorophenyl)pyrazol-3-yl]-3-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1ccnn1-c1cccc(F)c1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H12FN7O/c18-13-4-2-6-15(10-13)25-16(7-8-20-25)21-17(26)12-3-1-5-14(9-12)24-11-19-22-23-24/h1-11H,(H,21,26)
InChIKeyUJGQBKWLWQEXQH-UHFFFAOYSA-N
MW349.33 g/mol
LogP2.24
Rot. Bonds4

About N-[2-(3-fluorophenyl)pyrazol-3-yl]-3-(tetrazol-1-yl)benzamide

N-[2-(3-fluorophenyl)pyrazol-3-yl]-3-(tetrazol-1-yl)benzamide (PubChem CID 122138944) has the molecular formula C17H12FN7O and a molecular weight of 349.33 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)pyrazol-3-yl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)pyrazol-3-yl]-3-(tetrazol-1-yl)benzamide
PubChem CID122138944
Molecular FormulaC17H12FN7O
Molecular Weight349.33 g/mol
Exact Mass349.11
IUPAC NameN-[2-(3-fluorophenyl)pyrazol-3-yl]-3-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1ccnn1-c1cccc(F)c1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H12FN7O/c18-13-4-2-6-15(10-13)25-16(7-8-20-25)21-17(26)12-3-1-5-14(9-12)24-11-19-22-23-24/h1-11H,(H,21,26)
InChIKeyUJGQBKWLWQEXQH-UHFFFAOYSA-N
XLogP2.24
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-(tetrazol-1-yl)benzamide
CID 99453843
N-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide
CID 55700294
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
N-[2-(3-fluorophenyl)pyrazol-3-yl]cyclopropanecarboxamide
CID 166219983
N-(3-fluoro-5-sulfamoylphenyl)-3-(tetrazol-1-yl)benzamide
CID 47068482
N-(2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862130
3-fluoro-N-(2-methylpyrazol-3-yl)benzamide
CID 110472464
N-(2-ethoxypyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide
CID 122302044
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(tetrazol-1-yl)benzamide
CID 122303073
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 43072487
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-(tetrazol-1-yl)benzamide
CID 78830472
N-(3-fluorophenyl)-3-pyrazol-1-ylbenzamide
CID 95968194

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)pyrazol-3-yl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(3-fluorophenyl)pyrazol-3-yl]-3-(tetrazol-1-yl)benzamide (CID 122138944) is N-[2-(3-fluorophenyl)pyrazol-3-yl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)pyrazol-3-yl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(3-fluorophenyl)pyrazol-3-yl]-3-(tetrazol-1-yl)benzamide is O=C(Nc1ccnn1-c1cccc(F)c1)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)pyrazol-3-yl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is UJGQBKWLWQEXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN7O/c18-13-4-2-6-15(10-13)25-16(7-8-20-25)21-17(26)12-3-1-5-14(9-12)24-11-19-22-23-24/h1-11H,(H,21,26).
What are the key properties of N-[2-(3-fluorophenyl)pyrazol-3-yl]-3-(tetrazol-1-yl)benzamide?
N-[2-(3-fluorophenyl)pyrazol-3-yl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 349.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)pyrazol-3-yl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 122138944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).