N-(2-butylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide

C12H18F3N3O2 — CID 60557713

IUPACN-(2-butylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCCCCn1nccc1NC(=O)C(C)OCC(F)(F)F
InChIInChI=1S/C12H18F3N3O2/c1-3-4-7-18-10(5-6-16-18)17-11(19)9(2)20-8-12(13,14)15/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,19)
InChIKeyBWMDEZHROYFSLD-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.59
Rot. Bonds7

About N-(2-butylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide

N-(2-butylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 60557713) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is N-(2-butylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-butylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID60557713
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC NameN-(2-butylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCCCCn1nccc1NC(=O)C(C)OCC(F)(F)F
InChIInChI=1S/C12H18F3N3O2/c1-3-4-7-18-10(5-6-16-18)17-11(19)9(2)20-8-12(13,14)15/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,19)
InChIKeyBWMDEZHROYFSLD-UHFFFAOYSA-N
XLogP2.59
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-butylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(2-butylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide (CID 60557713) is N-(2-butylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(2-butylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(2-butylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide is CCCCn1nccc1NC(=O)C(C)OCC(F)(F)F.
What is the InChIKey of N-(2-butylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is BWMDEZHROYFSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2/c1-3-4-7-18-10(5-6-16-18)17-11(19)9(2)20-8-12(13,14)15/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,19).
What are the key properties of N-(2-butylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide?
N-(2-butylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 293.29 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 60557713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).