1-ethyl-4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N-propylpyrazole-3-carboxamide

C13H15F7N4O2 — CID 19398463

IUPAC1-ethyl-4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N-propylpyrazole-3-carboxamide
SMILESCCCNC(=O)c1nn(CC)cc1NC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H15F7N4O2/c1-3-5-21-9(25)8-7(6-24(4-2)23-8)22-10(26)11(14,15)12(16,17)13(18,19)20/h6H,3-5H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyAUVYNPSKIKDIEN-UHFFFAOYSA-N
MW392.28 g/mol
LogP2.81
Rot. Bonds7

About 1-ethyl-4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N-propylpyrazole-3-carboxamide

1-ethyl-4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N-propylpyrazole-3-carboxamide (PubChem CID 19398463) has the molecular formula C13H15F7N4O2 and a molecular weight of 392.28 g/mol. Its IUPAC name is 1-ethyl-4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N-propylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N-propylpyrazole-3-carboxamide
PubChem CID19398463
Molecular FormulaC13H15F7N4O2
Molecular Weight392.28 g/mol
Exact Mass392.11
IUPAC Name1-ethyl-4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N-propylpyrazole-3-carboxamide
SMILESCCCNC(=O)c1nn(CC)cc1NC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H15F7N4O2/c1-3-5-21-9(25)8-7(6-24(4-2)23-8)22-10(26)11(14,15)12(16,17)13(18,19)20/h6H,3-5H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyAUVYNPSKIKDIEN-UHFFFAOYSA-N
XLogP2.81
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19402598
1-ethyl-4-(2-oxopropanoylamino)-N-propylpyrazole-3-carboxamide
CID 19400133
4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 5241870
(1S,2S,3S,4R)-3-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 40610895
5-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494328
4-[[2-(4-bromo-3-methylpyrazol-1-yl)acetyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19398392
4-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19398509
2,2,3,3,4,4,4-heptafluoro-N-propylbutanamide
CID 614782
4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19448005
1-ethyl-N-propyl-4-[(2,3,4-trimethoxybenzoyl)amino]pyrazole-3-carboxamide
CID 19400096
1-[3-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470768
4-[(2-chloro-5-methylsulfanylbenzoyl)amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19398356

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N-propylpyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N-propylpyrazole-3-carboxamide (CID 19398463) is 1-ethyl-4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N-propylpyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N-propylpyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N-propylpyrazole-3-carboxamide is CCCNC(=O)c1nn(CC)cc1NC(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-ethyl-4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N-propylpyrazole-3-carboxamide?
The InChIKey is AUVYNPSKIKDIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F7N4O2/c1-3-5-21-9(25)8-7(6-24(4-2)23-8)22-10(26)11(14,15)12(16,17)13(18,19)20/h6H,3-5H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 1-ethyl-4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N-propylpyrazole-3-carboxamide?
1-ethyl-4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N-propylpyrazole-3-carboxamide has a molecular weight of 392.28 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N-propylpyrazole-3-carboxamide is sourced from PubChem (CID 19398463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).