5-ethyl-1-(3-methylphenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide

C20H29N3O — CID 42820321

IUPAC5-ethyl-1-(3-methylphenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCC(C)C)c(C(C)C)nn1-c1cccc(C)c1
InChIInChI=1S/C20H29N3O/c1-7-17-18(20(24)21-12-13(2)3)19(14(4)5)22-23(17)16-10-8-9-15(6)11-16/h8-11,13-14H,7,12H2,1-6H3,(H,21,24)
InChIKeyICMJUKTWZZVKNH-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.25
Rot. Bonds6

About 5-ethyl-1-(3-methylphenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide

5-ethyl-1-(3-methylphenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide (PubChem CID 42820321) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 5-ethyl-1-(3-methylphenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-(3-methylphenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide
PubChem CID42820321
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name5-ethyl-1-(3-methylphenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCC(C)C)c(C(C)C)nn1-c1cccc(C)c1
InChIInChI=1S/C20H29N3O/c1-7-17-18(20(24)21-12-13(2)3)19(14(4)5)22-23(17)16-10-8-9-15(6)11-16/h8-11,13-14H,7,12H2,1-6H3,(H,21,24)
InChIKeyICMJUKTWZZVKNH-UHFFFAOYSA-N
XLogP4.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-1-(4-fluorophenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide
CID 42820286
4-chloro-5-ethyl-1-(3-methylphenyl)-3-propan-2-ylpyrazole
CID 126742997
5-ethyl-1-(4-methylphenyl)-N,3-di(propan-2-yl)pyrazole-4-carboxamide
CID 42820458
1-(3-methylphenyl)-N-(2-methylpropyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 42692739
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-methyl-N-(2-methylpropyl)benzamide
CID 835315
5-(N-ethyl-3-methylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181194
[5-chloro-1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanol
CID 43333662
2-(3-methylphenyl)-N-(2-methylpropyl)-3,5-dioxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazine-6-carboxamide
CID 42835991
1-(3-methylphenyl)-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 42820453
2-methyl-N-[[2-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
CID 107447443

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(3-methylphenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-1-(3-methylphenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide (CID 42820321) is 5-ethyl-1-(3-methylphenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-1-(3-methylphenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-1-(3-methylphenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide is CCc1c(C(=O)NCC(C)C)c(C(C)C)nn1-c1cccc(C)c1.
What is the InChIKey of 5-ethyl-1-(3-methylphenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is ICMJUKTWZZVKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-7-17-18(20(24)21-12-13(2)3)19(14(4)5)22-23(17)16-10-8-9-15(6)11-16/h8-11,13-14H,7,12H2,1-6H3,(H,21,24).
What are the key properties of 5-ethyl-1-(3-methylphenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide?
5-ethyl-1-(3-methylphenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 327.47 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(3-methylphenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 42820321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).