2-methoxy-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]acetamide

C12H16F3N3O3 — CID 90615461

IUPAC2-methoxy-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]acetamide
SMILESCOCC(=O)NCCn1nc(C(F)(F)F)c2c1CCOC2
InChIInChI=1S/C12H16F3N3O3/c1-20-7-10(19)16-3-4-18-9-2-5-21-6-8(9)11(17-18)12(13,14)15/h2-7H2,1H3,(H,16,19)
InChIKeyUJIBNRMRAIQDIF-UHFFFAOYSA-N
MW307.27 g/mol
LogP0.74
Rot. Bonds5

About 2-methoxy-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]acetamide

2-methoxy-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]acetamide (PubChem CID 90615461) has the molecular formula C12H16F3N3O3 and a molecular weight of 307.27 g/mol. Its IUPAC name is 2-methoxy-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]acetamide
PubChem CID90615461
Molecular FormulaC12H16F3N3O3
Molecular Weight307.27 g/mol
Exact Mass307.11
IUPAC Name2-methoxy-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]acetamide
SMILESCOCC(=O)NCCn1nc(C(F)(F)F)c2c1CCOC2
InChIInChI=1S/C12H16F3N3O3/c1-20-7-10(19)16-3-4-18-9-2-5-21-6-8(9)11(17-18)12(13,14)15/h2-7H2,1H3,(H,16,19)
InChIKeyUJIBNRMRAIQDIF-UHFFFAOYSA-N
XLogP0.74
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]acetamide?
The IUPAC name of 2-methoxy-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]acetamide (CID 90615461) is 2-methoxy-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]acetamide?
The canonical SMILES for 2-methoxy-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]acetamide is COCC(=O)NCCn1nc(C(F)(F)F)c2c1CCOC2.
What is the InChIKey of 2-methoxy-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]acetamide?
The InChIKey is UJIBNRMRAIQDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O3/c1-20-7-10(19)16-3-4-18-9-2-5-21-6-8(9)11(17-18)12(13,14)15/h2-7H2,1H3,(H,16,19).
What are the key properties of 2-methoxy-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]acetamide?
2-methoxy-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]acetamide has a molecular weight of 307.27 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 90615461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).