N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide

C12H11F2N3O — CID 43546935

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide
SMILESCc1n[nH]c(C)c1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C12H11F2N3O/c1-6-11(7(2)17-16-6)15-12(18)10-8(13)4-3-5-9(10)14/h3-5H,1-2H3,(H,15,18)(H,16,17)
InChIKeyRLZCGXHDEPOFBV-UHFFFAOYSA-N
MW251.24 g/mol
LogP2.56
Rot. Bonds2

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide (PubChem CID 43546935) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide
PubChem CID43546935
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide
SMILESCc1n[nH]c(C)c1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C12H11F2N3O/c1-6-11(7(2)17-16-6)15-12(18)10-8(13)4-3-5-9(10)14/h3-5H,1-2H3,(H,15,18)(H,16,17)
InChIKeyRLZCGXHDEPOFBV-UHFFFAOYSA-N
XLogP2.56
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide
CID 62662395
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide
CID 894729
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582921
N-(3,5-diethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide
CID 42686730
N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 43399092
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2,6-difluorobenzamide
CID 91968502
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide
CID 43546989
2-[[(1S)-1-(2,3-difluorophenyl)ethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 97334834
N-(2-fluoro-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113352500
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluorophenoxy)propanamide
CID 43546883
2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluorobenzamide
CID 43547708
N-(3-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582601

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide (CID 43546935) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide is Cc1n[nH]c(C)c1NC(=O)c1c(F)cccc1F.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide?
The InChIKey is RLZCGXHDEPOFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c1-6-11(7(2)17-16-6)15-12(18)10-8(13)4-3-5-9(10)14/h3-5H,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide has a molecular weight of 251.24 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide is sourced from PubChem (CID 43546935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).