5-ethyl-1-(4-methylphenyl)-N,3-di(propan-2-yl)pyrazole-4-carboxamide

C19H27N3O — CID 42820458

IUPAC5-ethyl-1-(4-methylphenyl)-N,3-di(propan-2-yl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC(C)C)c(C(C)C)nn1-c1ccc(C)cc1
InChIInChI=1S/C19H27N3O/c1-7-16-17(19(23)20-13(4)5)18(12(2)3)21-22(16)15-10-8-14(6)9-11-15/h8-13H,7H2,1-6H3,(H,20,23)
InChIKeyWEMNQBYQYMYTBA-UHFFFAOYSA-N
MW313.45 g/mol
LogP4.00
Rot. Bonds5

About 5-ethyl-1-(4-methylphenyl)-N,3-di(propan-2-yl)pyrazole-4-carboxamide

5-ethyl-1-(4-methylphenyl)-N,3-di(propan-2-yl)pyrazole-4-carboxamide (PubChem CID 42820458) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is 5-ethyl-1-(4-methylphenyl)-N,3-di(propan-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-(4-methylphenyl)-N,3-di(propan-2-yl)pyrazole-4-carboxamide
PubChem CID42820458
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name5-ethyl-1-(4-methylphenyl)-N,3-di(propan-2-yl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC(C)C)c(C(C)C)nn1-c1ccc(C)cc1
InChIInChI=1S/C19H27N3O/c1-7-16-17(19(23)20-13(4)5)18(12(2)3)21-22(16)15-10-8-14(6)9-11-15/h8-13H,7H2,1-6H3,(H,20,23)
InChIKeyWEMNQBYQYMYTBA-UHFFFAOYSA-N
XLogP4.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-1-(4-fluorophenyl)-3-methyl-N-propan-2-ylpyrazole-4-carboxamide
CID 42818350
5-ethyl-1-(4-fluorophenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide
CID 42820286
5-ethyl-1-(3-methylphenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide
CID 42820321
5-ethyl-1-(4-fluorophenyl)-3-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42820288
1-(3,4-dichlorophenyl)-5-ethyl-3-propan-2-ylpyrazole-4-carboxylic acid
CID 42819828
3,5-diethyl-1-(3-fluorophenyl)-N-propan-2-ylpyrazole-4-carboxamide
CID 42820184
5-(methoxymethyl)-1-(4-methylphenyl)-N-propan-2-yltriazole-4-carboxamide
CID 16651675
1-(3-chlorophenyl)-3-cyclopropyl-5-ethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 42820477
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide
CID 78817652
5-methoxy-2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-N-propan-2-ylbenzamide
CID 69276880
5-ethyl-1-(4-methylphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
CID 39122202
5-ethyl-3-methyl-N,1-diphenylpyrazole-4-carboxamide
CID 163806603

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-methylphenyl)-N,3-di(propan-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-1-(4-methylphenyl)-N,3-di(propan-2-yl)pyrazole-4-carboxamide (CID 42820458) is 5-ethyl-1-(4-methylphenyl)-N,3-di(propan-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-1-(4-methylphenyl)-N,3-di(propan-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-1-(4-methylphenyl)-N,3-di(propan-2-yl)pyrazole-4-carboxamide is CCc1c(C(=O)NC(C)C)c(C(C)C)nn1-c1ccc(C)cc1.
What is the InChIKey of 5-ethyl-1-(4-methylphenyl)-N,3-di(propan-2-yl)pyrazole-4-carboxamide?
The InChIKey is WEMNQBYQYMYTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-7-16-17(19(23)20-13(4)5)18(12(2)3)21-22(16)15-10-8-14(6)9-11-15/h8-13H,7H2,1-6H3,(H,20,23).
What are the key properties of 5-ethyl-1-(4-methylphenyl)-N,3-di(propan-2-yl)pyrazole-4-carboxamide?
5-ethyl-1-(4-methylphenyl)-N,3-di(propan-2-yl)pyrazole-4-carboxamide has a molecular weight of 313.45 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-methylphenyl)-N,3-di(propan-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 42820458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).