2-(difluoromethyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide

C8H11F2N3O2 — CID 19506929

IUPAC2-(difluoromethyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide
SMILESCOCCNC(=O)c1ccnn1C(F)F
InChIInChI=1S/C8H11F2N3O2/c1-15-5-4-11-7(14)6-2-3-12-13(6)8(9)10/h2-3,8H,4-5H2,1H3,(H,11,14)
InChIKeyWSCCBZYVLOOOGB-UHFFFAOYSA-N
MW219.19 g/mol
LogP0.65
Rot. Bonds5

About 2-(difluoromethyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide

2-(difluoromethyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide (PubChem CID 19506929) has the molecular formula C8H11F2N3O2 and a molecular weight of 219.19 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide
PubChem CID19506929
Molecular FormulaC8H11F2N3O2
Molecular Weight219.19 g/mol
Exact Mass219.08
IUPAC Name2-(difluoromethyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide
SMILESCOCCNC(=O)c1ccnn1C(F)F
InChIInChI=1S/C8H11F2N3O2/c1-15-5-4-11-7(14)6-2-3-12-13(6)8(9)10/h2-3,8H,4-5H2,1H3,(H,11,14)
InChIKeyWSCCBZYVLOOOGB-UHFFFAOYSA-N
XLogP0.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(difluoromethyl)-N-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide
CID 5303266
2-(difluoromethyl)-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide
CID 19323782
2-(difluoromethyl)-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide
CID 19506738
N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide
CID 19475749
N-(3-amino-4-methoxybutyl)-2-methylpyrazole-3-carboxamide
CID 106243123
2-(difluoromethyl)-N-[(2R)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide
CID 51586593
N-(5-chloro-2-methylphenyl)-2-(difluoromethyl)pyrazole-3-carboxamide
CID 19506728
2-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide
CID 19506830
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 119066697
N-(4-bromo-2-fluorophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide
CID 3461510
N-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)pyrazole-3-carboxamide
CID 19395890
2-(difluoromethyl)-N-(2-methoxy-4-nitrophenyl)pyrazole-3-carboxamide
CID 19506795

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide (CID 19506929) is 2-(difluoromethyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide is COCCNC(=O)c1ccnn1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide?
The InChIKey is WSCCBZYVLOOOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O2/c1-15-5-4-11-7(14)6-2-3-12-13(6)8(9)10/h2-3,8H,4-5H2,1H3,(H,11,14).
What are the key properties of 2-(difluoromethyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide?
2-(difluoromethyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide has a molecular weight of 219.19 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19506929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).