5-(4-tert-butylphenyl)-1-ethyl-N-propan-2-ylpyrazole-3-carboxamide

C19H27N3O — CID 46104950

IUPAC5-(4-tert-butylphenyl)-1-ethyl-N-propan-2-ylpyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NC(C)C)cc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H27N3O/c1-7-22-17(12-16(21-22)18(23)20-13(2)3)14-8-10-15(11-9-14)19(4,5)6/h8-13H,7H2,1-6H3,(H,20,23)
InChIKeyMNBVDLOJSQYGHO-UHFFFAOYSA-N
MW313.45 g/mol
LogP4.01
Rot. Bonds4

About 5-(4-tert-butylphenyl)-1-ethyl-N-propan-2-ylpyrazole-3-carboxamide

5-(4-tert-butylphenyl)-1-ethyl-N-propan-2-ylpyrazole-3-carboxamide (PubChem CID 46104950) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-1-ethyl-N-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-1-ethyl-N-propan-2-ylpyrazole-3-carboxamide
PubChem CID46104950
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name5-(4-tert-butylphenyl)-1-ethyl-N-propan-2-ylpyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NC(C)C)cc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H27N3O/c1-7-22-17(12-16(21-22)18(23)20-13(2)3)14-8-10-15(11-9-14)19(4,5)6/h8-13H,7H2,1-6H3,(H,20,23)
InChIKeyMNBVDLOJSQYGHO-UHFFFAOYSA-N
XLogP4.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-tert-butylphenyl)-1-ethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazole-3-carboxamide
CID 46104978
2-[4-[[[5-(4-tert-butylphenyl)-1-ethylpyrazole-3-carbonyl]amino]methyl]-2-methylphenoxy]-2-methylpropanoic acid
CID 11784860
N-benzyl-5-(4-tert-butylphenyl)-1-ethyl-N-methylpyrazole-3-carboxamide
CID 42879111
5-(4-bromophenyl)-1-ethylpyrazole-3-carbohydrazide
CID 91872233
1-ethyl-5-(4-fluorophenyl)pyrazole-3-carbohydrazide
CID 91871685
5-(4-tert-butylphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 46105004
1-ethyl-5-(4-ethylphenyl)pyrazole-3-carboxylic acid
CID 45037411
1-ethyl-5-(3-fluorophenyl)-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 46104836
1-ethyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 46104554
5-(4-tert-butylphenyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 46105017
5-(3,4-difluorophenyl)-1-ethyl-N-(4-methylphenyl)pyrazole-3-carboxamide
CID 46104896
N-cyclohexyl-1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 46104689

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-1-ethyl-N-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of 5-(4-tert-butylphenyl)-1-ethyl-N-propan-2-ylpyrazole-3-carboxamide (CID 46104950) is 5-(4-tert-butylphenyl)-1-ethyl-N-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-tert-butylphenyl)-1-ethyl-N-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 5-(4-tert-butylphenyl)-1-ethyl-N-propan-2-ylpyrazole-3-carboxamide is CCn1nc(C(=O)NC(C)C)cc1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-1-ethyl-N-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is MNBVDLOJSQYGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-7-22-17(12-16(21-22)18(23)20-13(2)3)14-8-10-15(11-9-14)19(4,5)6/h8-13H,7H2,1-6H3,(H,20,23).
What are the key properties of 5-(4-tert-butylphenyl)-1-ethyl-N-propan-2-ylpyrazole-3-carboxamide?
5-(4-tert-butylphenyl)-1-ethyl-N-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 313.45 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-1-ethyl-N-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 46104950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).