2-(difluoromethoxy)-N-(1H-pyrazol-4-yl)benzamide

C11H9F2N3O2 — CID 43429728

IUPAC2-(difluoromethoxy)-N-(1H-pyrazol-4-yl)benzamide
SMILESO=C(Nc1cn[nH]c1)c1ccccc1OC(F)F
InChIInChI=1S/C11H9F2N3O2/c12-11(13)18-9-4-2-1-3-8(9)10(17)16-7-5-14-15-6-7/h1-6,11H,(H,14,15)(H,16,17)
InChIKeyCGBWWYFPOSEBPR-UHFFFAOYSA-N
MW253.21 g/mol
LogP2.26
Rot. Bonds4

About 2-(difluoromethoxy)-N-(1H-pyrazol-4-yl)benzamide

2-(difluoromethoxy)-N-(1H-pyrazol-4-yl)benzamide (PubChem CID 43429728) has the molecular formula C11H9F2N3O2 and a molecular weight of 253.21 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-(1H-pyrazol-4-yl)benzamide
PubChem CID43429728
Molecular FormulaC11H9F2N3O2
Molecular Weight253.21 g/mol
Exact Mass253.07
IUPAC Name2-(difluoromethoxy)-N-(1H-pyrazol-4-yl)benzamide
SMILESO=C(Nc1cn[nH]c1)c1ccccc1OC(F)F
InChIInChI=1S/C11H9F2N3O2/c12-11(13)18-9-4-2-1-3-8(9)10(17)16-7-5-14-15-6-7/h1-6,11H,(H,14,15)(H,16,17)
InChIKeyCGBWWYFPOSEBPR-UHFFFAOYSA-N
XLogP2.26
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrazol-4-yl)benzamide
CID 110473881
2-(difluoromethoxy)-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
CID 104620278
2-(difluoromethoxy)-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 26904916
N-(4-bromo-3-fluorophenyl)-2-(difluoromethoxy)benzamide
CID 65436031
2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824
methyl 3-[[2-(difluoromethoxy)benzoyl]amino]benzoate
CID 17414154
2-(difluoromethoxy)-N-(3-methylsulfanylphenyl)benzamide
CID 26086758
3-methoxy-N-(1H-pyrazol-4-yl)pyridine-4-carboxamide
CID 105063971
5-[[2-(difluoromethoxy)benzoyl]amino]thiophene-2-carboxylic acid
CID 43474824
2-(difluoromethoxy)-N-(2-methyl-1H-indol-5-yl)benzamide
CID 46481565
2-(difluoromethoxy)-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 39977055
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-(1H-pyrazol-4-yl)benzamide (CID 43429728) is 2-(difluoromethoxy)-N-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-(1H-pyrazol-4-yl)benzamide is O=C(Nc1cn[nH]c1)c1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-(1H-pyrazol-4-yl)benzamide?
The InChIKey is CGBWWYFPOSEBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O2/c12-11(13)18-9-4-2-1-3-8(9)10(17)16-7-5-14-15-6-7/h1-6,11H,(H,14,15)(H,16,17).
What are the key properties of 2-(difluoromethoxy)-N-(1H-pyrazol-4-yl)benzamide?
2-(difluoromethoxy)-N-(1H-pyrazol-4-yl)benzamide has a molecular weight of 253.21 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 43429728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).