5-acetyl-2,4-dimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-1H-pyrrole-3-carboxamide

C16H16N6O3 — CID 131934212

IUPAC5-acetyl-2,4-dimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-1H-pyrrole-3-carboxamide
SMILESCC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(Oc3nn[nH]n3)cc2)c1C
InChIInChI=1S/C16H16N6O3/c1-8-13(9(2)17-14(8)10(3)23)15(24)18-11-4-6-12(7-5-11)25-16-19-21-22-20-16/h4-7,17H,1-3H3,(H,18,24)(H,19,20,21,22)
InChIKeyWEQOFDPMLUJYAQ-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.39
Rot. Bonds5

About 5-acetyl-2,4-dimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-1H-pyrrole-3-carboxamide

5-acetyl-2,4-dimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-1H-pyrrole-3-carboxamide (PubChem CID 131934212) has the molecular formula C16H16N6O3 and a molecular weight of 340.34 g/mol. Its IUPAC name is 5-acetyl-2,4-dimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-2,4-dimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-1H-pyrrole-3-carboxamide
PubChem CID131934212
Molecular FormulaC16H16N6O3
Molecular Weight340.34 g/mol
Exact Mass340.13
IUPAC Name5-acetyl-2,4-dimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-1H-pyrrole-3-carboxamide
SMILESCC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(Oc3nn[nH]n3)cc2)c1C
InChIInChI=1S/C16H16N6O3/c1-8-13(9(2)17-14(8)10(3)23)15(24)18-11-4-6-12(7-5-11)25-16-19-21-22-20-16/h4-7,17H,1-3H3,(H,18,24)(H,19,20,21,22)
InChIKeyWEQOFDPMLUJYAQ-UHFFFAOYSA-N
XLogP2.39
TPSA125.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-6-oxo-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyridine-3-carboxamide
CID 131903630
3-(5-methyltetrazol-1-yl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide
CID 131893929
2,6-dimethoxy-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyridine-3-carboxamide
CID 131888846
6-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide
CID 131896944
methyl 2,4-dimethyl-5-[(4-pyridin-4-yloxyphenyl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 49415568
2-methoxyethyl 2,4-dimethyl-5-[(4-phenoxyphenyl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 46488018
2-(4-methyl-N-methylsulfonylanilino)-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide
CID 131896194
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 7191710
5-(4-methylphenoxy)-2H-tetrazole
CID 5152789
1,3,6-trimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 131932427
N-[4-(2H-tetrazol-5-yloxy)phenyl]azetidine-2-carboxamide;hydrochloride
CID 154912887
4-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]benzenesulfonamide
CID 169370934

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2,4-dimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-acetyl-2,4-dimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-1H-pyrrole-3-carboxamide (CID 131934212) is 5-acetyl-2,4-dimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-acetyl-2,4-dimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-acetyl-2,4-dimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-1H-pyrrole-3-carboxamide is CC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(Oc3nn[nH]n3)cc2)c1C.
What is the InChIKey of 5-acetyl-2,4-dimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-1H-pyrrole-3-carboxamide?
The InChIKey is WEQOFDPMLUJYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3/c1-8-13(9(2)17-14(8)10(3)23)15(24)18-11-4-6-12(7-5-11)25-16-19-21-22-20-16/h4-7,17H,1-3H3,(H,18,24)(H,19,20,21,22).
What are the key properties of 5-acetyl-2,4-dimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-1H-pyrrole-3-carboxamide?
5-acetyl-2,4-dimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-1H-pyrrole-3-carboxamide has a molecular weight of 340.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2,4-dimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 131934212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).