N-pyridin-3-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C11H9F3N4O — CID 30282561

IUPACN-pyridin-3-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)Nc1cccnc1
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)9-3-5-18(17-9)7-10(19)16-8-2-1-4-15-6-8/h1-6H,7H2,(H,16,19)
InChIKeyAQEOSTDFZFNXKX-UHFFFAOYSA-N
MW270.21 g/mol
LogP1.94
Rot. Bonds3

About N-pyridin-3-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-pyridin-3-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 30282561) has the molecular formula C11H9F3N4O and a molecular weight of 270.21 g/mol. Its IUPAC name is N-pyridin-3-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-pyridin-3-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID30282561
Molecular FormulaC11H9F3N4O
Molecular Weight270.21 g/mol
Exact Mass270.07
IUPAC NameN-pyridin-3-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)Nc1cccnc1
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)9-3-5-18(17-9)7-10(19)16-8-2-1-4-15-6-8/h1-6H,7H2,(H,16,19)
InChIKeyAQEOSTDFZFNXKX-UHFFFAOYSA-N
XLogP1.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-pyridin-3-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 30282561) is N-pyridin-3-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-pyridin-3-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-pyridin-3-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)Nc1cccnc1.
What is the InChIKey of N-pyridin-3-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is AQEOSTDFZFNXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O/c12-11(13,14)9-3-5-18(17-9)7-10(19)16-8-2-1-4-15-6-8/h1-6H,7H2,(H,16,19).
What are the key properties of N-pyridin-3-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-pyridin-3-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 270.21 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 30282561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).