N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide

C12H16F3N3O3 — CID 87036504

IUPACN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C12H16F3N3O3/c13-12(14,15)8-20-7-11(19)17-9-4-16-18(5-9)6-10-2-1-3-21-10/h4-5,10H,1-3,6-8H2,(H,17,19)
InChIKeyCRKUZPVGFBWBEX-UHFFFAOYSA-N
MW307.27 g/mol
LogP1.58
Rot. Bonds6

About N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 87036504) has the molecular formula C12H16F3N3O3 and a molecular weight of 307.27 g/mol. Its IUPAC name is N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID87036504
Molecular FormulaC12H16F3N3O3
Molecular Weight307.27 g/mol
Exact Mass307.11
IUPAC NameN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C12H16F3N3O3/c13-12(14,15)8-20-7-11(19)17-9-4-16-18(5-9)6-10-2-1-3-21-10/h4-5,10H,1-3,6-8H2,(H,17,19)
InChIKeyCRKUZPVGFBWBEX-UHFFFAOYSA-N
XLogP1.58
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 87036504) is N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)Nc1cnn(CC2CCCO2)c1.
What is the InChIKey of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is CRKUZPVGFBWBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O3/c13-12(14,15)8-20-7-11(19)17-9-4-16-18(5-9)6-10-2-1-3-21-10/h4-5,10H,1-3,6-8H2,(H,17,19).
What are the key properties of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 307.27 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 87036504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).