2-[1-(difluoromethyl)pyrazol-4-yl]-N-methoxy-N-methylacetamide

C8H11F2N3O2 — CID 167421298

IUPAC2-[1-(difluoromethyl)pyrazol-4-yl]-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)Cc1cnn(C(F)F)c1
InChIInChI=1S/C8H11F2N3O2/c1-12(15-2)7(14)3-6-4-11-13(5-6)8(9)10/h4-5,8H,3H2,1-2H3
InChIKeyPWVSGGWJFGIKSO-UHFFFAOYSA-N
MW219.19 g/mol
LogP0.84
Rot. Bonds4

About 2-[1-(difluoromethyl)pyrazol-4-yl]-N-methoxy-N-methylacetamide

2-[1-(difluoromethyl)pyrazol-4-yl]-N-methoxy-N-methylacetamide (PubChem CID 167421298) has the molecular formula C8H11F2N3O2 and a molecular weight of 219.19 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)pyrazol-4-yl]-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(difluoromethyl)pyrazol-4-yl]-N-methoxy-N-methylacetamide
PubChem CID167421298
Molecular FormulaC8H11F2N3O2
Molecular Weight219.19 g/mol
Exact Mass219.08
IUPAC Name2-[1-(difluoromethyl)pyrazol-4-yl]-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)Cc1cnn(C(F)F)c1
InChIInChI=1S/C8H11F2N3O2/c1-12(15-2)7(14)3-6-4-11-13(5-6)8(9)10/h4-5,8H,3H2,1-2H3
InChIKeyPWVSGGWJFGIKSO-UHFFFAOYSA-N
XLogP0.84
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)pyrazol-4-yl]-N-methoxy-N-methylacetamide?
The IUPAC name of 2-[1-(difluoromethyl)pyrazol-4-yl]-N-methoxy-N-methylacetamide (CID 167421298) is 2-[1-(difluoromethyl)pyrazol-4-yl]-N-methoxy-N-methylacetamide.
What is the SMILES notation for 2-[1-(difluoromethyl)pyrazol-4-yl]-N-methoxy-N-methylacetamide?
The canonical SMILES for 2-[1-(difluoromethyl)pyrazol-4-yl]-N-methoxy-N-methylacetamide is CON(C)C(=O)Cc1cnn(C(F)F)c1.
What is the InChIKey of 2-[1-(difluoromethyl)pyrazol-4-yl]-N-methoxy-N-methylacetamide?
The InChIKey is PWVSGGWJFGIKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O2/c1-12(15-2)7(14)3-6-4-11-13(5-6)8(9)10/h4-5,8H,3H2,1-2H3.
What are the key properties of 2-[1-(difluoromethyl)pyrazol-4-yl]-N-methoxy-N-methylacetamide?
2-[1-(difluoromethyl)pyrazol-4-yl]-N-methoxy-N-methylacetamide has a molecular weight of 219.19 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)pyrazol-4-yl]-N-methoxy-N-methylacetamide is sourced from PubChem (CID 167421298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).