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

C13H18F3N3O2 — CID 90615459

IUPAC2-methyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]propanamide
SMILESCC(C)C(=O)NCCn1nc(C(F)(F)F)c2c1CCOC2
InChIInChI=1S/C13H18F3N3O2/c1-8(2)12(20)17-4-5-19-10-3-6-21-7-9(10)11(18-19)13(14,15)16/h8H,3-7H2,1-2H3,(H,17,20)
InChIKeyNPCRXZMMFAXEBB-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.75
Rot. Bonds4

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

2-methyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]propanamide (PubChem CID 90615459) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is 2-methyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]propanamide
PubChem CID90615459
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC Name2-methyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]propanamide
SMILESCC(C)C(=O)NCCn1nc(C(F)(F)F)c2c1CCOC2
InChIInChI=1S/C13H18F3N3O2/c1-8(2)12(20)17-4-5-19-10-3-6-21-7-9(10)11(18-19)13(14,15)16/h8H,3-7H2,1-2H3,(H,17,20)
InChIKeyNPCRXZMMFAXEBB-UHFFFAOYSA-N
XLogP1.75
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]propanamide (CID 90615459) is 2-methyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]propanamide is CC(C)C(=O)NCCn1nc(C(F)(F)F)c2c1CCOC2.
What is the InChIKey of 2-methyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]propanamide?
The InChIKey is NPCRXZMMFAXEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-8(2)12(20)17-4-5-19-10-3-6-21-7-9(10)11(18-19)13(14,15)16/h8H,3-7H2,1-2H3,(H,17,20).
What are the key properties of 2-methyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]propanamide?
2-methyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]propanamide has a molecular weight of 305.30 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]propanamide is sourced from PubChem (CID 90615459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).