1-(difluoromethyl)-N-[(4-ethoxyphenyl)methyl]-N-ethylpyrazole-3-carboxamide

C16H19F2N3O2 — CID 131896834

IUPAC1-(difluoromethyl)-N-[(4-ethoxyphenyl)methyl]-N-ethylpyrazole-3-carboxamide
SMILESCCOc1ccc(CN(CC)C(=O)c2ccn(C(F)F)n2)cc1
InChIInChI=1S/C16H19F2N3O2/c1-3-20(11-12-5-7-13(8-6-12)23-4-2)15(22)14-9-10-21(19-14)16(17)18/h5-10,16H,3-4,11H2,1-2H3
InChIKeyWUNPZOXHSXBJQT-UHFFFAOYSA-N
MW323.34 g/mol
LogP3.34
Rot. Bonds7

About 1-(difluoromethyl)-N-[(4-ethoxyphenyl)methyl]-N-ethylpyrazole-3-carboxamide

1-(difluoromethyl)-N-[(4-ethoxyphenyl)methyl]-N-ethylpyrazole-3-carboxamide (PubChem CID 131896834) has the molecular formula C16H19F2N3O2 and a molecular weight of 323.34 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[(4-ethoxyphenyl)methyl]-N-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[(4-ethoxyphenyl)methyl]-N-ethylpyrazole-3-carboxamide
PubChem CID131896834
Molecular FormulaC16H19F2N3O2
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC Name1-(difluoromethyl)-N-[(4-ethoxyphenyl)methyl]-N-ethylpyrazole-3-carboxamide
SMILESCCOc1ccc(CN(CC)C(=O)c2ccn(C(F)F)n2)cc1
InChIInChI=1S/C16H19F2N3O2/c1-3-20(11-12-5-7-13(8-6-12)23-4-2)15(22)14-9-10-21(19-14)16(17)18/h5-10,16H,3-4,11H2,1-2H3
InChIKeyWUNPZOXHSXBJQT-UHFFFAOYSA-N
XLogP3.34
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(difluoromethyl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide
CID 91795608
N-benzyl-1-(difluoromethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide
CID 46957288
N-[(4-ethoxyphenyl)methyl]-N-ethyl-2-methoxybutanamide
CID 131938327
N-benzyl-5-(4-ethoxyanilino)-N-ethylpyridine-2-carboxamide
CID 109190758
3-ethoxy-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 6466465
N-(2-chloroethyl)-4-ethoxy-N-ethylbenzamide
CID 63395634
N-[(4-ethoxyphenyl)methyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide
CID 78779706
4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 78770402
2-(4-ethoxyphenyl)-3-(1-methylpyrazol-3-yl)-3-oxopropanenitrile
CID 103118513
N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]quinoxaline-2-carboxamide
CID 9489163
N-[(4-ethoxyphenyl)methyl]-N-methylimidazole-1-carboxamide
CID 112722731
N-benzyl-6-ethoxy-N-ethylpyrimidine-4-carboxamide
CID 121018154

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[(4-ethoxyphenyl)methyl]-N-ethylpyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-[(4-ethoxyphenyl)methyl]-N-ethylpyrazole-3-carboxamide (CID 131896834) is 1-(difluoromethyl)-N-[(4-ethoxyphenyl)methyl]-N-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[(4-ethoxyphenyl)methyl]-N-ethylpyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-[(4-ethoxyphenyl)methyl]-N-ethylpyrazole-3-carboxamide is CCOc1ccc(CN(CC)C(=O)c2ccn(C(F)F)n2)cc1.
What is the InChIKey of 1-(difluoromethyl)-N-[(4-ethoxyphenyl)methyl]-N-ethylpyrazole-3-carboxamide?
The InChIKey is WUNPZOXHSXBJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O2/c1-3-20(11-12-5-7-13(8-6-12)23-4-2)15(22)14-9-10-21(19-14)16(17)18/h5-10,16H,3-4,11H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-N-[(4-ethoxyphenyl)methyl]-N-ethylpyrazole-3-carboxamide?
1-(difluoromethyl)-N-[(4-ethoxyphenyl)methyl]-N-ethylpyrazole-3-carboxamide has a molecular weight of 323.34 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[(4-ethoxyphenyl)methyl]-N-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 131896834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).