N-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-6-pyrazol-1-yl-3-pyridinyl]acetamide

C13H9F7N4O2 — CID 134962103

IUPACN-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-6-pyrazol-1-yl-3-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-n2cccn2)nc1OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H9F7N4O2/c1-7(25)22-8-3-4-9(24-6-2-5-21-24)23-10(8)26-11(14,12(15,16)17)13(18,19)20/h2-6H,1H3,(H,22,25)
InChIKeyLRFODNMMPJGWNS-UHFFFAOYSA-N
MW386.23 g/mol
LogP3.39
Rot. Bonds4

About N-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-6-pyrazol-1-yl-3-pyridinyl]acetamide

N-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-6-pyrazol-1-yl-3-pyridinyl]acetamide (PubChem CID 134962103) has the molecular formula C13H9F7N4O2 and a molecular weight of 386.23 g/mol. Its IUPAC name is N-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-6-pyrazol-1-yl-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-6-pyrazol-1-yl-3-pyridinyl]acetamide
PubChem CID134962103
Molecular FormulaC13H9F7N4O2
Molecular Weight386.23 g/mol
Exact Mass386.06
IUPAC NameN-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-6-pyrazol-1-yl-3-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-n2cccn2)nc1OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H9F7N4O2/c1-7(25)22-8-3-4-9(24-6-2-5-21-24)23-10(8)26-11(14,12(15,16)17)13(18,19)20/h2-6H,1H3,(H,22,25)
InChIKeyLRFODNMMPJGWNS-UHFFFAOYSA-N
XLogP3.39
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.23
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-6-pyrazol-1-yl-3-pyridinyl]acetamide?
The IUPAC name of N-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-6-pyrazol-1-yl-3-pyridinyl]acetamide (CID 134962103) is N-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-6-pyrazol-1-yl-3-pyridinyl]acetamide.
What is the SMILES notation for N-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-6-pyrazol-1-yl-3-pyridinyl]acetamide?
The canonical SMILES for N-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-6-pyrazol-1-yl-3-pyridinyl]acetamide is CC(=O)Nc1ccc(-n2cccn2)nc1OC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-6-pyrazol-1-yl-3-pyridinyl]acetamide?
The InChIKey is LRFODNMMPJGWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F7N4O2/c1-7(25)22-8-3-4-9(24-6-2-5-21-24)23-10(8)26-11(14,12(15,16)17)13(18,19)20/h2-6H,1H3,(H,22,25).
What are the key properties of N-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-6-pyrazol-1-yl-3-pyridinyl]acetamide?
N-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-6-pyrazol-1-yl-3-pyridinyl]acetamide has a molecular weight of 386.23 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-6-pyrazol-1-yl-3-pyridinyl]acetamide is sourced from PubChem (CID 134962103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).