N-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-amine

C8H10F3N3O — CID 152963598

IUPACN-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-amine
SMILESCNn1nc(C(F)(F)F)c2c1CCOC2
InChIInChI=1S/C8H10F3N3O/c1-12-14-6-2-3-15-4-5(6)7(13-14)8(9,10)11/h12H,2-4H2,1H3
InChIKeyURBLMHJFBPNZEF-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.15
Rot. Bonds1

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

N-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-amine (PubChem CID 152963598) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is N-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-amine.

Molecular Properties

Compound NameN-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-amine
PubChem CID152963598
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC NameN-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-amine
SMILESCNn1nc(C(F)(F)F)c2c1CCOC2
InChIInChI=1S/C8H10F3N3O/c1-12-14-6-2-3-15-4-5(6)7(13-14)8(9,10)11/h12H,2-4H2,1H3
InChIKeyURBLMHJFBPNZEF-UHFFFAOYSA-N
XLogP1.15
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-amine?
The IUPAC name of N-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-amine (CID 152963598) is N-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-amine.
What is the SMILES notation for N-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-amine?
The canonical SMILES for N-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-amine is CNn1nc(C(F)(F)F)c2c1CCOC2.
What is the InChIKey of N-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-amine?
The InChIKey is URBLMHJFBPNZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-12-14-6-2-3-15-4-5(6)7(13-14)8(9,10)11/h12H,2-4H2,1H3.
What are the key properties of N-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-amine?
N-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-amine has a molecular weight of 221.18 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-amine is sourced from PubChem (CID 152963598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).