5-acetyl-2,4-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]-1H-pyrrole-3-carboxamide

C17H18N6O2 — CID 131901994

IUPAC5-acetyl-2,4-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]-1H-pyrrole-3-carboxamide
SMILESCC(=O)c1[nH]c(C)c(C(=O)NCc2nnnn2-c2ccccc2)c1C
InChIInChI=1S/C17H18N6O2/c1-10-15(11(2)19-16(10)12(3)24)17(25)18-9-14-20-21-22-23(14)13-7-5-4-6-8-13/h4-8,19H,9H2,1-3H3,(H,18,25)
InChIKeyDAHZIWGFGGFUHW-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.74
Rot. Bonds5

About 5-acetyl-2,4-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]-1H-pyrrole-3-carboxamide

5-acetyl-2,4-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]-1H-pyrrole-3-carboxamide (PubChem CID 131901994) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 5-acetyl-2,4-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-2,4-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]-1H-pyrrole-3-carboxamide
PubChem CID131901994
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name5-acetyl-2,4-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]-1H-pyrrole-3-carboxamide
SMILESCC(=O)c1[nH]c(C)c(C(=O)NCc2nnnn2-c2ccccc2)c1C
InChIInChI=1S/C17H18N6O2/c1-10-15(11(2)19-16(10)12(3)24)17(25)18-9-14-20-21-22-23(14)13-7-5-4-6-8-13/h4-8,19H,9H2,1-3H3,(H,18,25)
InChIKeyDAHZIWGFGGFUHW-UHFFFAOYSA-N
XLogP1.74
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methylsulfonyl-N-[(1-phenyltetrazol-5-yl)methyl]benzamide
CID 18565660
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid
CID 43467064
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
CID 77082434
2-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 16799279
2-(dimethylamino)-2-(2-methylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
CID 72938798
N-[(1-phenyltetrazol-5-yl)methyl]cycloheptene-1-carboxamide
CID 125419395
N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methylsulfonylbenzamide
CID 27452404
N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide
CID 18565635
3-[(1-phenyltetrazol-5-yl)methylamino]-N-propylpropanamide
CID 62626872
N-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide
CID 22579909

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2,4-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-acetyl-2,4-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]-1H-pyrrole-3-carboxamide (CID 131901994) is 5-acetyl-2,4-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-acetyl-2,4-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-acetyl-2,4-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]-1H-pyrrole-3-carboxamide is CC(=O)c1[nH]c(C)c(C(=O)NCc2nnnn2-c2ccccc2)c1C.
What is the InChIKey of 5-acetyl-2,4-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]-1H-pyrrole-3-carboxamide?
The InChIKey is DAHZIWGFGGFUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-10-15(11(2)19-16(10)12(3)24)17(25)18-9-14-20-21-22-23(14)13-7-5-4-6-8-13/h4-8,19H,9H2,1-3H3,(H,18,25).
What are the key properties of 5-acetyl-2,4-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]-1H-pyrrole-3-carboxamide?
5-acetyl-2,4-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2,4-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 131901994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).