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

C8H11F2N3O2 — CID 19268644

IUPAC1-(difluoromethyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide
SMILESCOCCNC(=O)c1ccn(C(F)F)n1
InChIInChI=1S/C8H11F2N3O2/c1-15-5-3-11-7(14)6-2-4-13(12-6)8(9)10/h2,4,8H,3,5H2,1H3,(H,11,14)
InChIKeyDCKBBXWOQUCBAG-UHFFFAOYSA-N
MW219.19 g/mol
LogP0.65
Rot. Bonds5

About 1-(difluoromethyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide

1-(difluoromethyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide (PubChem CID 19268644) has the molecular formula C8H11F2N3O2 and a molecular weight of 219.19 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide
PubChem CID19268644
Molecular FormulaC8H11F2N3O2
Molecular Weight219.19 g/mol
Exact Mass219.08
IUPAC Name1-(difluoromethyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide
SMILESCOCCNC(=O)c1ccn(C(F)F)n1
InChIInChI=1S/C8H11F2N3O2/c1-15-5-3-11-7(14)6-2-4-13(12-6)8(9)10/h2,4,8H,3,5H2,1H3,(H,11,14)
InChIKeyDCKBBXWOQUCBAG-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

N-cyclopentyl-1-ethylpyrazole-3-carboxamide
CID 6464929
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837
(1-methyl-1H-pyrazol-5-yl)(morpholino)methanone
CID 6469888
N-(2-aminoethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2060975
1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-3-carboxamide
CID 1224835
(1-Ethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 1225789
methyl 4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-7-carboxylate
CID 154872964
(R)-1-Methyl-N-((tetrahydrofuran-2-yl)methyl)-1H-pyrazole-3-carboxamide
CID 1224834
2,6-dimethyl-4-[(1-methyl-1H-pyrazol-3-yl)carbonyl]morpholine
CID 5057975
1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 17144219
4-chloro-1-ethyl-N-(2-methoxyethyl)pyrazole-3-carboxamide
CID 19263455
2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrazole-3-carboxamide
CID 72151204

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide (CID 19268644) is 1-(difluoromethyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide is COCCNC(=O)c1ccn(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide?
The InChIKey is DCKBBXWOQUCBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O2/c1-15-5-3-11-7(14)6-2-4-13(12-6)8(9)10/h2,4,8H,3,5H2,1H3,(H,11,14).
What are the key properties of 1-(difluoromethyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide?
1-(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 1-(difluoromethyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19268644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).