5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(oxolan-2-ylmethyl)pyridin-2-amine

C15H17F3N4O — CID 154765632

IUPAC5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(oxolan-2-ylmethyl)pyridin-2-amine
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(NCC2CCCO2)nc1
InChIInChI=1S/C15H17F3N4O/c1-22-12(7-13(21-22)15(16,17)18)10-4-5-14(19-8-10)20-9-11-3-2-6-23-11/h4-5,7-8,11H,2-3,6,9H2,1H3,(H,19,20)
InChIKeyDDPSYOORTBNSNM-UHFFFAOYSA-N
MW326.32 g/mol
LogP3.09
Rot. Bonds4

About 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(oxolan-2-ylmethyl)pyridin-2-amine

5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(oxolan-2-ylmethyl)pyridin-2-amine (PubChem CID 154765632) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(oxolan-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(oxolan-2-ylmethyl)pyridin-2-amine
PubChem CID154765632
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC Name5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(oxolan-2-ylmethyl)pyridin-2-amine
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(NCC2CCCO2)nc1
InChIInChI=1S/C15H17F3N4O/c1-22-12(7-13(21-22)15(16,17)18)10-4-5-14(19-8-10)20-9-11-3-2-6-23-11/h4-5,7-8,11H,2-3,6,9H2,1H3,(H,19,20)
InChIKeyDDPSYOORTBNSNM-UHFFFAOYSA-N
XLogP3.09
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(oxolan-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(oxolan-2-ylmethyl)pyridin-2-amine (CID 154765632) is 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(oxolan-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(oxolan-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(oxolan-2-ylmethyl)pyridin-2-amine is Cn1nc(C(F)(F)F)cc1-c1ccc(NCC2CCCO2)nc1.
What is the InChIKey of 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(oxolan-2-ylmethyl)pyridin-2-amine?
The InChIKey is DDPSYOORTBNSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O/c1-22-12(7-13(21-22)15(16,17)18)10-4-5-14(19-8-10)20-9-11-3-2-6-23-11/h4-5,7-8,11H,2-3,6,9H2,1H3,(H,19,20).
What are the key properties of 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(oxolan-2-ylmethyl)pyridin-2-amine?
5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(oxolan-2-ylmethyl)pyridin-2-amine has a molecular weight of 326.32 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(oxolan-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 154765632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).