N,N-dimethyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C12H17F3N4O — CID 118759603

IUPACN,N-dimethyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1nn(CCC(F)(F)F)c2c1CNCC2
InChIInChI=1S/C12H17F3N4O/c1-18(2)11(20)10-8-7-16-5-3-9(8)19(17-10)6-4-12(13,14)15/h16H,3-7H2,1-2H3
InChIKeyBYYCYXLGKMAJTN-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.18
Rot. Bonds3

About N,N-dimethyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

N,N-dimethyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 118759603) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is N,N-dimethyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID118759603
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC NameN,N-dimethyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1nn(CCC(F)(F)F)c2c1CNCC2
InChIInChI=1S/C12H17F3N4O/c1-18(2)11(20)10-8-7-16-5-3-9(8)19(17-10)6-4-12(13,14)15/h16H,3-7H2,1-2H3
InChIKeyBYYCYXLGKMAJTN-UHFFFAOYSA-N
XLogP1.18
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 118759603) is N,N-dimethyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is CN(C)C(=O)c1nn(CCC(F)(F)F)c2c1CNCC2.
What is the InChIKey of N,N-dimethyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is BYYCYXLGKMAJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-18(2)11(20)10-8-7-16-5-3-9(8)19(17-10)6-4-12(13,14)15/h16H,3-7H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
N,N-dimethyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 290.29 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118759603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).