1-(2-propan-2-ylimino-1-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone

C14H15F3N4O — CID 53499250

IUPAC1-(2-propan-2-ylimino-1-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCC(C)/N=c1\ccccn1C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C14H15F3N4O/c1-10(2)18-12-5-3-4-7-21(12)13(22)9-20-8-6-11(19-20)14(15,16)17/h3-8,10H,9H2,1-2H3/b18-12+
InChIKeyXZOISPDWDHHCBR-LDADJPATSA-N
MW312.30 g/mol
LogP2.35
Rot. Bonds3

About 1-(2-propan-2-ylimino-1-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone

1-(2-propan-2-ylimino-1-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (PubChem CID 53499250) has the molecular formula C14H15F3N4O and a molecular weight of 312.30 g/mol. Its IUPAC name is 1-(2-propan-2-ylimino-1-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(2-propan-2-ylimino-1-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
PubChem CID53499250
Molecular FormulaC14H15F3N4O
Molecular Weight312.30 g/mol
Exact Mass312.12
IUPAC Name1-(2-propan-2-ylimino-1-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCC(C)/N=c1\ccccn1C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C14H15F3N4O/c1-10(2)18-12-5-3-4-7-21(12)13(22)9-20-8-6-11(19-20)14(15,16)17/h3-8,10H,9H2,1-2H3/b18-12+
InChIKeyXZOISPDWDHHCBR-LDADJPATSA-N
XLogP2.35
TPSA52.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylimino-1-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The IUPAC name of 1-(2-propan-2-ylimino-1-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (CID 53499250) is 1-(2-propan-2-ylimino-1-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-(2-propan-2-ylimino-1-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The canonical SMILES for 1-(2-propan-2-ylimino-1-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is CC(C)/N=c1\ccccn1C(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of 1-(2-propan-2-ylimino-1-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The InChIKey is XZOISPDWDHHCBR-LDADJPATSA-N. The full InChI is InChI=1S/C14H15F3N4O/c1-10(2)18-12-5-3-4-7-21(12)13(22)9-20-8-6-11(19-20)14(15,16)17/h3-8,10H,9H2,1-2H3/b18-12+.
What are the key properties of 1-(2-propan-2-ylimino-1-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
1-(2-propan-2-ylimino-1-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone has a molecular weight of 312.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylimino-1-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is sourced from PubChem (CID 53499250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).