N,N-diethyl-2-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]acetamide

C13H15F3N4O — CID 75441037

IUPACN,N-diethyl-2-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]acetamide
SMILESCCN(CC)C(=O)Cn1nc(C(F)(F)F)c2cnccc21
InChIInChI=1S/C13H15F3N4O/c1-3-19(4-2)11(21)8-20-10-5-6-17-7-9(10)12(18-20)13(14,15)16/h5-7H,3-4,8H2,1-2H3
InChIKeyPNXNYOBVVRHXFR-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.32
Rot. Bonds4

About N,N-diethyl-2-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]acetamide

N,N-diethyl-2-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]acetamide (PubChem CID 75441037) has the molecular formula C13H15F3N4O and a molecular weight of 300.28 g/mol. Its IUPAC name is N,N-diethyl-2-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]acetamide
PubChem CID75441037
Molecular FormulaC13H15F3N4O
Molecular Weight300.28 g/mol
Exact Mass300.12
IUPAC NameN,N-diethyl-2-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]acetamide
SMILESCCN(CC)C(=O)Cn1nc(C(F)(F)F)c2cnccc21
InChIInChI=1S/C13H15F3N4O/c1-3-19(4-2)11(21)8-20-10-5-6-17-7-9(10)12(18-20)13(14,15)16/h5-7H,3-4,8H2,1-2H3
InChIKeyPNXNYOBVVRHXFR-UHFFFAOYSA-N
XLogP2.32
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]acetamide (CID 75441037) is N,N-diethyl-2-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]acetamide is CCN(CC)C(=O)Cn1nc(C(F)(F)F)c2cnccc21.
What is the InChIKey of N,N-diethyl-2-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]acetamide?
The InChIKey is PNXNYOBVVRHXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O/c1-3-19(4-2)11(21)8-20-10-5-6-17-7-9(10)12(18-20)13(14,15)16/h5-7H,3-4,8H2,1-2H3.
What are the key properties of N,N-diethyl-2-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]acetamide?
N,N-diethyl-2-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]acetamide has a molecular weight of 300.28 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]acetamide is sourced from PubChem (CID 75441037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).