N-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methyl]formamide

C12H11F3N4O2 — CID 12010723

IUPACN-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methyl]formamide
SMILESCn1nc(C(F)(F)F)cc1Oc1cccc(CNC=O)n1
InChIInChI=1S/C12H11F3N4O2/c1-19-11(5-9(18-19)12(13,14)15)21-10-4-2-3-8(17-10)6-16-7-20/h2-5,7H,6H2,1H3,(H,16,20)
InChIKeySXNZNGXDWAPRKK-UHFFFAOYSA-N
MW300.24 g/mol
LogP1.87
Rot. Bonds5

About N-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methyl]formamide

N-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methyl]formamide (PubChem CID 12010723) has the molecular formula C12H11F3N4O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is N-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methyl]formamide.

Molecular Properties

Compound NameN-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methyl]formamide
PubChem CID12010723
Molecular FormulaC12H11F3N4O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC NameN-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methyl]formamide
SMILESCn1nc(C(F)(F)F)cc1Oc1cccc(CNC=O)n1
InChIInChI=1S/C12H11F3N4O2/c1-19-11(5-9(18-19)12(13,14)15)21-10-4-2-3-8(17-10)6-16-7-20/h2-5,7H,6H2,1H3,(H,16,20)
InChIKeySXNZNGXDWAPRKK-UHFFFAOYSA-N
XLogP1.87
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methyl]formamide?
The IUPAC name of N-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methyl]formamide (CID 12010723) is N-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methyl]formamide.
What is the SMILES notation for N-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methyl]formamide?
The canonical SMILES for N-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methyl]formamide is Cn1nc(C(F)(F)F)cc1Oc1cccc(CNC=O)n1.
What is the InChIKey of N-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methyl]formamide?
The InChIKey is SXNZNGXDWAPRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2/c1-19-11(5-9(18-19)12(13,14)15)21-10-4-2-3-8(17-10)6-16-7-20/h2-5,7H,6H2,1H3,(H,16,20).
What are the key properties of N-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methyl]formamide?
N-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methyl]formamide has a molecular weight of 300.24 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methyl]formamide is sourced from PubChem (CID 12010723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).