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

C12H16F3N3O2 — CID 72718810

IUPACN-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]propanamide
SMILESCCC(=O)NCCn1nc(C(F)(F)F)c2c1CCOC2
InChIInChI=1S/C12H16F3N3O2/c1-2-10(19)16-4-5-18-9-3-6-20-7-8(9)11(17-18)12(13,14)15/h2-7H2,1H3,(H,16,19)
InChIKeyQRYXAQHQACLUCJ-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.50
Rot. Bonds4

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

N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]propanamide (PubChem CID 72718810) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]propanamide
PubChem CID72718810
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC NameN-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]propanamide
SMILESCCC(=O)NCCn1nc(C(F)(F)F)c2c1CCOC2
InChIInChI=1S/C12H16F3N3O2/c1-2-10(19)16-4-5-18-9-3-6-20-7-8(9)11(17-18)12(13,14)15/h2-7H2,1H3,(H,16,19)
InChIKeyQRYXAQHQACLUCJ-UHFFFAOYSA-N
XLogP1.50
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]propanamide?
The IUPAC name of N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]propanamide (CID 72718810) is N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]propanamide.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]propanamide?
The canonical SMILES for N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]propanamide is CCC(=O)NCCn1nc(C(F)(F)F)c2c1CCOC2.
What is the InChIKey of N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]propanamide?
The InChIKey is QRYXAQHQACLUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-2-10(19)16-4-5-18-9-3-6-20-7-8(9)11(17-18)12(13,14)15/h2-7H2,1H3,(H,16,19).
What are the key properties of N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]propanamide?
N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]propanamide has a molecular weight of 291.27 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]propanamide is sourced from PubChem (CID 72718810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).