3-tert-butyl-N-ethyl-1-methyl-N-(2-methylphenyl)pyrazole-5-carboxamide

C18H25N3O — CID 87024381

IUPAC3-tert-butyl-N-ethyl-1-methyl-N-(2-methylphenyl)pyrazole-5-carboxamide
SMILESCCN(C(=O)c1cc(C(C)(C)C)nn1C)c1ccccc1C
InChIInChI=1S/C18H25N3O/c1-7-21(14-11-9-8-10-13(14)2)17(22)15-12-16(18(3,4)5)19-20(15)6/h8-12H,7H2,1-6H3
InChIKeyVKHSCFBDXMLLSX-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.69
Rot. Bonds3

About 3-tert-butyl-N-ethyl-1-methyl-N-(2-methylphenyl)pyrazole-5-carboxamide

3-tert-butyl-N-ethyl-1-methyl-N-(2-methylphenyl)pyrazole-5-carboxamide (PubChem CID 87024381) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-tert-butyl-N-ethyl-1-methyl-N-(2-methylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-ethyl-1-methyl-N-(2-methylphenyl)pyrazole-5-carboxamide
PubChem CID87024381
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name3-tert-butyl-N-ethyl-1-methyl-N-(2-methylphenyl)pyrazole-5-carboxamide
SMILESCCN(C(=O)c1cc(C(C)(C)C)nn1C)c1ccccc1C
InChIInChI=1S/C18H25N3O/c1-7-21(14-11-9-8-10-13(14)2)17(22)15-12-16(18(3,4)5)19-20(15)6/h8-12H,7H2,1-6H3
InChIKeyVKHSCFBDXMLLSX-UHFFFAOYSA-N
XLogP3.69
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-ethyl-1-methyl-N-(2-methylphenyl)pyrazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-N-ethyl-1-methyl-N-(2-methylphenyl)pyrazole-5-carboxamide (CID 87024381) is 3-tert-butyl-N-ethyl-1-methyl-N-(2-methylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-ethyl-1-methyl-N-(2-methylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-N-ethyl-1-methyl-N-(2-methylphenyl)pyrazole-5-carboxamide is CCN(C(=O)c1cc(C(C)(C)C)nn1C)c1ccccc1C.
What is the InChIKey of 3-tert-butyl-N-ethyl-1-methyl-N-(2-methylphenyl)pyrazole-5-carboxamide?
The InChIKey is VKHSCFBDXMLLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-7-21(14-11-9-8-10-13(14)2)17(22)15-12-16(18(3,4)5)19-20(15)6/h8-12H,7H2,1-6H3.
What are the key properties of 3-tert-butyl-N-ethyl-1-methyl-N-(2-methylphenyl)pyrazole-5-carboxamide?
3-tert-butyl-N-ethyl-1-methyl-N-(2-methylphenyl)pyrazole-5-carboxamide has a molecular weight of 299.42 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-ethyl-1-methyl-N-(2-methylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 87024381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).