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

C9H12F3N3O — CID 91623973

IUPAC2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethanamine
SMILESNCCn1nc(C(F)(F)F)c2c1CCOC2
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)8-6-5-16-4-1-7(6)15(14-8)3-2-13/h1-5,13H2
InChIKeyLHGWBJVMAISMMA-UHFFFAOYSA-N
MW235.21 g/mol
LogP0.93
Rot. Bonds2

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

2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethanamine (PubChem CID 91623973) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethanamine
PubChem CID91623973
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethanamine
SMILESNCCn1nc(C(F)(F)F)c2c1CCOC2
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)8-6-5-16-4-1-7(6)15(14-8)3-2-13/h1-5,13H2
InChIKeyLHGWBJVMAISMMA-UHFFFAOYSA-N
XLogP0.93
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]urea
CID 90615777
N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]naphthalene-1-carboxamide
CID 90615544
N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-3-carboxamide
CID 72718815
4-propyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide
CID 90615521
2,4-dimethyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide
CID 90615685
(E)-2-(4-methylphenyl)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]ethenesulfonamide
CID 90615763
N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 90615556
2-(4-methylphenoxy)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]acetamide
CID 90615534
3-nitro-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide
CID 90615535
1-[[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
CID 146141285
methyl (E)-4-[[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetyl]amino]but-2-enoate
CID 146141794
2-methoxy-5-methyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide
CID 90615714

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethanamine?
The IUPAC name of 2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethanamine (CID 91623973) is 2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethanamine?
The canonical SMILES for 2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethanamine is NCCn1nc(C(F)(F)F)c2c1CCOC2.
What is the InChIKey of 2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethanamine?
The InChIKey is LHGWBJVMAISMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c10-9(11,12)8-6-5-16-4-1-7(6)15(14-8)3-2-13/h1-5,13H2.
What are the key properties of 2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethanamine?
2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethanamine has a molecular weight of 235.21 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethanamine is sourced from PubChem (CID 91623973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).