N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]butanamide

C10H14F3N3O2 — CID 19340863

IUPACN-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]butanamide
SMILESCCCC(=O)Nc1cnn(COCC(F)(F)F)c1
InChIInChI=1S/C10H14F3N3O2/c1-2-3-9(17)15-8-4-14-16(5-8)7-18-6-10(11,12)13/h4-5H,2-3,6-7H2,1H3,(H,15,17)
InChIKeyYYVVHUBWZLQKSO-UHFFFAOYSA-N
MW265.23 g/mol
LogP2.16
Rot. Bonds6

About N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]butanamide

N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]butanamide (PubChem CID 19340863) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]butanamide.

Molecular Properties

Compound NameN-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]butanamide
PubChem CID19340863
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC NameN-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]butanamide
SMILESCCCC(=O)Nc1cnn(COCC(F)(F)F)c1
InChIInChI=1S/C10H14F3N3O2/c1-2-3-9(17)15-8-4-14-16(5-8)7-18-6-10(11,12)13/h4-5H,2-3,6-7H2,1H3,(H,15,17)
InChIKeyYYVVHUBWZLQKSO-UHFFFAOYSA-N
XLogP2.16
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]butanamide?
The IUPAC name of N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]butanamide (CID 19340863) is N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]butanamide.
What is the SMILES notation for N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]butanamide?
The canonical SMILES for N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]butanamide is CCCC(=O)Nc1cnn(COCC(F)(F)F)c1.
What is the InChIKey of N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]butanamide?
The InChIKey is YYVVHUBWZLQKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-2-3-9(17)15-8-4-14-16(5-8)7-18-6-10(11,12)13/h4-5H,2-3,6-7H2,1H3,(H,15,17).
What are the key properties of N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]butanamide?
N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]butanamide has a molecular weight of 265.23 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]butanamide is sourced from PubChem (CID 19340863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).