2-(difluoromethoxy)-N-(1,3-dimethylpyrazol-4-yl)benzamide

C13H13F2N3O2 — CID 19346092

IUPAC2-(difluoromethoxy)-N-(1,3-dimethylpyrazol-4-yl)benzamide
SMILESCc1nn(C)cc1NC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C13H13F2N3O2/c1-8-10(7-18(2)17-8)16-12(19)9-5-3-4-6-11(9)20-13(14)15/h3-7,13H,1-2H3,(H,16,19)
InChIKeyYXUJQBHTGMUPPS-UHFFFAOYSA-N
MW281.26 g/mol
LogP2.58
Rot. Bonds4

About 2-(difluoromethoxy)-N-(1,3-dimethylpyrazol-4-yl)benzamide

2-(difluoromethoxy)-N-(1,3-dimethylpyrazol-4-yl)benzamide (PubChem CID 19346092) has the molecular formula C13H13F2N3O2 and a molecular weight of 281.26 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-(1,3-dimethylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-(1,3-dimethylpyrazol-4-yl)benzamide
PubChem CID19346092
Molecular FormulaC13H13F2N3O2
Molecular Weight281.26 g/mol
Exact Mass281.10
IUPAC Name2-(difluoromethoxy)-N-(1,3-dimethylpyrazol-4-yl)benzamide
SMILESCc1nn(C)cc1NC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C13H13F2N3O2/c1-8-10(7-18(2)17-8)16-12(19)9-5-3-4-6-11(9)20-13(14)15/h3-7,13H,1-2H3,(H,16,19)
InChIKeyYXUJQBHTGMUPPS-UHFFFAOYSA-N
XLogP2.58
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzamide
CID 39854004
2-(difluoromethoxy)-N-(2-methoxy-5-methylphenyl)benzamide
CID 2441885
2-(difluoromethoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide
CID 55377247
2-(difluoromethoxy)-N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 8778786
N-(2-ethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 42352848
(E)-3-[2-(difluoromethoxy)phenyl]-1-(1,3-dimethylpyrazol-4-yl)prop-2-en-1-one
CID 19556546
2-(difluoromethoxy)-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19337933
2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824
N-[2-(difluoromethoxy)phenyl]-2-ethoxybenzamide
CID 17394090
1-chloro-N-(1,3-dimethylpyrazol-4-yl)isoquinoline-4-carboxamide
CID 106766455
4-[[2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 19341835
N-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285304

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-(1,3-dimethylpyrazol-4-yl)benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-(1,3-dimethylpyrazol-4-yl)benzamide (CID 19346092) is 2-(difluoromethoxy)-N-(1,3-dimethylpyrazol-4-yl)benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-(1,3-dimethylpyrazol-4-yl)benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-(1,3-dimethylpyrazol-4-yl)benzamide is Cc1nn(C)cc1NC(=O)c1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-(1,3-dimethylpyrazol-4-yl)benzamide?
The InChIKey is YXUJQBHTGMUPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2/c1-8-10(7-18(2)17-8)16-12(19)9-5-3-4-6-11(9)20-13(14)15/h3-7,13H,1-2H3,(H,16,19).
What are the key properties of 2-(difluoromethoxy)-N-(1,3-dimethylpyrazol-4-yl)benzamide?
2-(difluoromethoxy)-N-(1,3-dimethylpyrazol-4-yl)benzamide has a molecular weight of 281.26 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-(1,3-dimethylpyrazol-4-yl)benzamide is sourced from PubChem (CID 19346092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).