N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide

C19H16BrN7O — CID 52585472

IUPACN-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCc1cc(NC(=O)Cc2ccc(-n3cnnn3)cc2)n(-c2cccc(Br)c2)n1
InChIInChI=1S/C19H16BrN7O/c1-13-9-18(27(23-13)17-4-2-3-15(20)11-17)22-19(28)10-14-5-7-16(8-6-14)26-12-21-24-25-26/h2-9,11-12H,10H2,1H3,(H,22,28)
InChIKeyYZNLROOCGLBEBM-UHFFFAOYSA-N
MW438.29 g/mol
LogP3.10
Rot. Bonds5

About N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide

N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 52585472) has the molecular formula C19H16BrN7O and a molecular weight of 438.29 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID52585472
Molecular FormulaC19H16BrN7O
Molecular Weight438.29 g/mol
Exact Mass437.06
IUPAC NameN-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCc1cc(NC(=O)Cc2ccc(-n3cnnn3)cc2)n(-c2cccc(Br)c2)n1
InChIInChI=1S/C19H16BrN7O/c1-13-9-18(27(23-13)17-4-2-3-15(20)11-17)22-19(28)10-14-5-7-16(8-6-14)26-12-21-24-25-26/h2-9,11-12H,10H2,1H3,(H,22,28)
InChIKeyYZNLROOCGLBEBM-UHFFFAOYSA-N
XLogP3.10
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2-cyclopentylacetamide
CID 55643474
2-(4-aminophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 110452122
N-[6-(3-bromophenoxy)-3-pyridinyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 60612803
2-(4-acetamidophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 33001295
2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 18079837
N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2,3-dichlorobenzamide
CID 55643391
N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-3-(oxolan-2-ylmethoxy)propanamide
CID 55760705
N-[3-[[2-(3-bromophenyl)-5-methylpyrazol-3-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 55873667
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(6-methyl-3-pyridinyl)acetamide
CID 51123237
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 78862634
N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-(tetrazol-1-yl)benzamide
CID 99453843
2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 110459429

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (CID 52585472) is N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is Cc1cc(NC(=O)Cc2ccc(-n3cnnn3)cc2)n(-c2cccc(Br)c2)n1.
What is the InChIKey of N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is YZNLROOCGLBEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN7O/c1-13-9-18(27(23-13)17-4-2-3-15(20)11-17)22-19(28)10-14-5-7-16(8-6-14)26-12-21-24-25-26/h2-9,11-12H,10H2,1H3,(H,22,28).
What are the key properties of N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 438.29 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 52585472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).