3-amino-1-(difluoromethyl)-N-ethyl-N-methylpyrazole-5-carboxamide

C8H12F2N4O — CID 154881923

IUPAC3-amino-1-(difluoromethyl)-N-ethyl-N-methylpyrazole-5-carboxamide
SMILESCCN(C)C(=O)c1cc(N)nn1C(F)F
InChIInChI=1S/C8H12F2N4O/c1-3-13(2)7(15)5-4-6(11)12-14(5)8(9)10/h4,8H,3H2,1-2H3,(H2,11,12)
InChIKeyVPXCWLSMMADZBE-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.95
Rot. Bonds3

About 3-amino-1-(difluoromethyl)-N-ethyl-N-methylpyrazole-5-carboxamide

3-amino-1-(difluoromethyl)-N-ethyl-N-methylpyrazole-5-carboxamide (PubChem CID 154881923) has the molecular formula C8H12F2N4O and a molecular weight of 218.21 g/mol. Its IUPAC name is 3-amino-1-(difluoromethyl)-N-ethyl-N-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-1-(difluoromethyl)-N-ethyl-N-methylpyrazole-5-carboxamide
PubChem CID154881923
Molecular FormulaC8H12F2N4O
Molecular Weight218.21 g/mol
Exact Mass218.10
IUPAC Name3-amino-1-(difluoromethyl)-N-ethyl-N-methylpyrazole-5-carboxamide
SMILESCCN(C)C(=O)c1cc(N)nn1C(F)F
InChIInChI=1S/C8H12F2N4O/c1-3-13(2)7(15)5-4-6(11)12-14(5)8(9)10/h4,8H,3H2,1-2H3,(H2,11,12)
InChIKeyVPXCWLSMMADZBE-UHFFFAOYSA-N
XLogP0.95
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(difluoromethyl)-N-ethyl-N-methylpyrazole-5-carboxamide?
The IUPAC name of 3-amino-1-(difluoromethyl)-N-ethyl-N-methylpyrazole-5-carboxamide (CID 154881923) is 3-amino-1-(difluoromethyl)-N-ethyl-N-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-1-(difluoromethyl)-N-ethyl-N-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-amino-1-(difluoromethyl)-N-ethyl-N-methylpyrazole-5-carboxamide is CCN(C)C(=O)c1cc(N)nn1C(F)F.
What is the InChIKey of 3-amino-1-(difluoromethyl)-N-ethyl-N-methylpyrazole-5-carboxamide?
The InChIKey is VPXCWLSMMADZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N4O/c1-3-13(2)7(15)5-4-6(11)12-14(5)8(9)10/h4,8H,3H2,1-2H3,(H2,11,12).
What are the key properties of 3-amino-1-(difluoromethyl)-N-ethyl-N-methylpyrazole-5-carboxamide?
3-amino-1-(difluoromethyl)-N-ethyl-N-methylpyrazole-5-carboxamide has a molecular weight of 218.21 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(difluoromethyl)-N-ethyl-N-methylpyrazole-5-carboxamide is sourced from PubChem (CID 154881923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).