5-ethyl-1-(4-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrazole-4-carboxamide

C21H21N7O — CID 55676186

IUPAC5-ethyl-1-(4-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2cccc(-n3nnnc3C)c2)cnn1-c1ccc(C)cc1
InChIInChI=1S/C21H21N7O/c1-4-20-19(13-22-28(20)17-10-8-14(2)9-11-17)21(29)23-16-6-5-7-18(12-16)27-15(3)24-25-26-27/h5-13H,4H2,1-3H3,(H,23,29)
InChIKeyXTQOAPKRDONRMG-UHFFFAOYSA-N
MW387.45 g/mol
LogP3.28
Rot. Bonds5

About 5-ethyl-1-(4-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrazole-4-carboxamide

5-ethyl-1-(4-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrazole-4-carboxamide (PubChem CID 55676186) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is 5-ethyl-1-(4-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-(4-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrazole-4-carboxamide
PubChem CID55676186
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name5-ethyl-1-(4-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2cccc(-n3nnnc3C)c2)cnn1-c1ccc(C)cc1
InChIInChI=1S/C21H21N7O/c1-4-20-19(13-22-28(20)17-10-8-14(2)9-11-17)21(29)23-16-6-5-7-18(12-16)27-15(3)24-25-26-27/h5-13H,4H2,1-3H3,(H,23,29)
InChIKeyXTQOAPKRDONRMG-UHFFFAOYSA-N
XLogP3.28
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide
CID 46584156
N-(3-cyanophenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 46586204
2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 18717027
N-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 46577913
5-ethyl-N-(3-ethylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 31887301
1-ethyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55677068
1-(2-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112822525
N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 31884775
N-(4-ethoxyphenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 46584032
N'-benzoyl-5-ethyl-1-(4-methylphenyl)pyrazole-4-carbohydrazide
CID 46582435
2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 136579582
5-ethyl-1-(4-methylphenyl)-N-(1-phenylpyrazol-3-yl)pyrazole-4-carboxamide
CID 55580357

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-1-(4-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrazole-4-carboxamide (CID 55676186) is 5-ethyl-1-(4-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-1-(4-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-1-(4-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrazole-4-carboxamide is CCc1c(C(=O)Nc2cccc(-n3nnnc3C)c2)cnn1-c1ccc(C)cc1.
What is the InChIKey of 5-ethyl-1-(4-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrazole-4-carboxamide?
The InChIKey is XTQOAPKRDONRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c1-4-20-19(13-22-28(20)17-10-8-14(2)9-11-17)21(29)23-16-6-5-7-18(12-16)27-15(3)24-25-26-27/h5-13H,4H2,1-3H3,(H,23,29).
What are the key properties of 5-ethyl-1-(4-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrazole-4-carboxamide?
5-ethyl-1-(4-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrazole-4-carboxamide has a molecular weight of 387.45 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55676186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).