N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-(tetrazol-1-yl)benzamide

C18H14FN7O — CID 99453843

IUPACN-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-(tetrazol-1-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(-n3cnnn3)c2)n(-c2ccccc2F)n1
InChIInChI=1S/C18H14FN7O/c1-12-9-17(26(22-12)16-8-3-2-7-15(16)19)21-18(27)13-5-4-6-14(10-13)25-11-20-23-24-25/h2-11H,1H3,(H,21,27)
InChIKeyGKZOXIRLCSMAMP-UHFFFAOYSA-N
MW363.36 g/mol
LogP2.55
Rot. Bonds4

About N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-(tetrazol-1-yl)benzamide

N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-(tetrazol-1-yl)benzamide (PubChem CID 99453843) has the molecular formula C18H14FN7O and a molecular weight of 363.36 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-(tetrazol-1-yl)benzamide
PubChem CID99453843
Molecular FormulaC18H14FN7O
Molecular Weight363.36 g/mol
Exact Mass363.12
IUPAC NameN-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-(tetrazol-1-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(-n3cnnn3)c2)n(-c2ccccc2F)n1
InChIInChI=1S/C18H14FN7O/c1-12-9-17(26(22-12)16-8-3-2-7-15(16)19)21-18(27)13-5-4-6-14(10-13)25-11-20-23-24-25/h2-11H,1H3,(H,21,27)
InChIKeyGKZOXIRLCSMAMP-UHFFFAOYSA-N
XLogP2.55
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylsulfonylbenzamide
CID 47027818
N-(2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862130
N-[2-(3-fluorophenyl)pyrazol-3-yl]-3-(tetrazol-1-yl)benzamide
CID 122138944
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
CID 112805726
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(tetrazol-1-yl)benzamide
CID 122303073
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-(tetrazol-1-yl)benzamide
CID 78830472
N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxy-3-nitrobenzamide
CID 47027812
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-3-(tetrazol-1-yl)benzamide
CID 122292555
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-pyrrol-1-ylbenzamide
CID 112805877
methyl 5-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]furan-3-carboxylate
CID 75477756
N-(2-fluoro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide
CID 31930638

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-(tetrazol-1-yl)benzamide (CID 99453843) is N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-(tetrazol-1-yl)benzamide is Cc1cc(NC(=O)c2cccc(-n3cnnn3)c2)n(-c2ccccc2F)n1.
What is the InChIKey of N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is GKZOXIRLCSMAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN7O/c1-12-9-17(26(22-12)16-8-3-2-7-15(16)19)21-18(27)13-5-4-6-14(10-13)25-11-20-23-24-25/h2-11H,1H3,(H,21,27).
What are the key properties of N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-(tetrazol-1-yl)benzamide?
N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 363.36 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 99453843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).