N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,3,6-trifluorophenyl)acetamide

C14H12F3N3O — CID 22176952

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,3,6-trifluorophenyl)acetamide
SMILESO=C(Cc1c(F)ccc(F)c1F)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C14H12F3N3O/c15-9-3-4-10(16)14(17)8(9)5-13(21)18-12-6-11(19-20-12)7-1-2-7/h3-4,6-7H,1-2,5H2,(H2,18,19,20,21)
InChIKeyLXSWBUAIWIWVPW-UHFFFAOYSA-N
MW295.26 g/mol
LogP2.89
Rot. Bonds4

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,3,6-trifluorophenyl)acetamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,3,6-trifluorophenyl)acetamide (PubChem CID 22176952) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,3,6-trifluorophenyl)acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,3,6-trifluorophenyl)acetamide
PubChem CID22176952
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,3,6-trifluorophenyl)acetamide
SMILESO=C(Cc1c(F)ccc(F)c1F)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C14H12F3N3O/c15-9-3-4-10(16)14(17)8(9)5-13(21)18-12-6-11(19-20-12)7-1-2-7/h3-4,6-7H,1-2,5H2,(H2,18,19,20,21)
InChIKeyLXSWBUAIWIWVPW-UHFFFAOYSA-N
XLogP2.89
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,3,6-trifluorophenyl)acetamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,3,6-trifluorophenyl)acetamide (CID 22176952) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,3,6-trifluorophenyl)acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,3,6-trifluorophenyl)acetamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,3,6-trifluorophenyl)acetamide is O=C(Cc1c(F)ccc(F)c1F)Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,3,6-trifluorophenyl)acetamide?
The InChIKey is LXSWBUAIWIWVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c15-9-3-4-10(16)14(17)8(9)5-13(21)18-12-6-11(19-20-12)7-1-2-7/h3-4,6-7H,1-2,5H2,(H2,18,19,20,21).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,3,6-trifluorophenyl)acetamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,3,6-trifluorophenyl)acetamide has a molecular weight of 295.26 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,3,6-trifluorophenyl)acetamide is sourced from PubChem (CID 22176952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).