ethane;3-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-amine

C11H18F3N3 — CID 177339387

IUPACethane;3-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-amine
SMILESCC.Cc1c(N)nn2c1CC(C(F)(F)F)CC2
InChIInChI=1S/C9H12F3N3.C2H6/c1-5-7-4-6(9(10,11)12)2-3-15(7)14-8(5)13;1-2/h6H,2-4H2,1H3,(H2,13,14);1-2H3
InChIKeyGVMQXBGZOHMPCM-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.92
Rot. Bonds

About ethane;3-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-amine

ethane;3-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-amine (PubChem CID 177339387) has the molecular formula C11H18F3N3 and a molecular weight of 249.28 g/mol. Its IUPAC name is ethane;3-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Nameethane;3-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-amine
PubChem CID177339387
Molecular FormulaC11H18F3N3
Molecular Weight249.28 g/mol
Exact Mass249.15
IUPAC Nameethane;3-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-amine
SMILESCC.Cc1c(N)nn2c1CC(C(F)(F)F)CC2
InChIInChI=1S/C9H12F3N3.C2H6/c1-5-7-4-6(9(10,11)12)2-3-15(7)14-8(5)13;1-2/h6H,2-4H2,1H3,(H2,13,14);1-2H3
InChIKeyGVMQXBGZOHMPCM-UHFFFAOYSA-N
XLogP2.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-amine?
The IUPAC name of ethane;3-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-amine (CID 177339387) is ethane;3-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for ethane;3-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for ethane;3-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-amine is CC.Cc1c(N)nn2c1CC(C(F)(F)F)CC2.
What is the InChIKey of ethane;3-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-amine?
The InChIKey is GVMQXBGZOHMPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3.C2H6/c1-5-7-4-6(9(10,11)12)2-3-15(7)14-8(5)13;1-2/h6H,2-4H2,1H3,(H2,13,14);1-2H3.
What are the key properties of ethane;3-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-amine?
ethane;3-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-amine has a molecular weight of 249.28 g/mol, XLogP of 2.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 177339387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).