N-[3-cyclobutyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,3-dimethylbutanamide

C18H26F3N3O — CID 177339439

IUPACN-[3-cyclobutyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nn2c(c1C1CCC1)CC(C(F)(F)F)CC2
InChIInChI=1S/C18H26F3N3O/c1-17(2,3)10-14(25)22-16-15(11-5-4-6-11)13-9-12(18(19,20)21)7-8-24(13)23-16/h11-12H,4-10H2,1-3H3,(H,22,23,25)
InChIKeyMYFNPYYPOHWGPB-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.65
Rot. Bonds3

About N-[3-cyclobutyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,3-dimethylbutanamide

N-[3-cyclobutyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,3-dimethylbutanamide (PubChem CID 177339439) has the molecular formula C18H26F3N3O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-[3-cyclobutyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[3-cyclobutyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,3-dimethylbutanamide
PubChem CID177339439
Molecular FormulaC18H26F3N3O
Molecular Weight357.42 g/mol
Exact Mass357.20
IUPAC NameN-[3-cyclobutyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nn2c(c1C1CCC1)CC(C(F)(F)F)CC2
InChIInChI=1S/C18H26F3N3O/c1-17(2,3)10-14(25)22-16-15(11-5-4-6-11)13-9-12(18(19,20)21)7-8-24(13)23-16/h11-12H,4-10H2,1-3H3,(H,22,23,25)
InChIKeyMYFNPYYPOHWGPB-UHFFFAOYSA-N
XLogP4.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyclobutyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[3-cyclobutyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,3-dimethylbutanamide (CID 177339439) is N-[3-cyclobutyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[3-cyclobutyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[3-cyclobutyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nn2c(c1C1CCC1)CC(C(F)(F)F)CC2.
What is the InChIKey of N-[3-cyclobutyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,3-dimethylbutanamide?
The InChIKey is MYFNPYYPOHWGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3O/c1-17(2,3)10-14(25)22-16-15(11-5-4-6-11)13-9-12(18(19,20)21)7-8-24(13)23-16/h11-12H,4-10H2,1-3H3,(H,22,23,25).
What are the key properties of N-[3-cyclobutyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,3-dimethylbutanamide?
N-[3-cyclobutyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,3-dimethylbutanamide has a molecular weight of 357.42 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclobutyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 177339439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).