1-N'-(2,6-difluorophenyl)-1-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopropane-1,1-dicarboxamide

C17H18F2N4O2 — CID 167819332

IUPAC1-N'-(2,6-difluorophenyl)-1-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopropane-1,1-dicarboxamide
SMILESCc1nn(C)cc1CNC(=O)C1(C(=O)Nc2c(F)cccc2F)CC1
InChIInChI=1S/C17H18F2N4O2/c1-10-11(9-23(2)22-10)8-20-15(24)17(6-7-17)16(25)21-14-12(18)4-3-5-13(14)19/h3-5,9H,6-8H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyRGJPSBVNBVVHPC-UHFFFAOYSA-N
MW348.35 g/mol
LogP2.04
Rot. Bonds5

About 1-N'-(2,6-difluorophenyl)-1-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopropane-1,1-dicarboxamide

1-N'-(2,6-difluorophenyl)-1-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopropane-1,1-dicarboxamide (PubChem CID 167819332) has the molecular formula C17H18F2N4O2 and a molecular weight of 348.35 g/mol. Its IUPAC name is 1-N'-(2,6-difluorophenyl)-1-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2,6-difluorophenyl)-1-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopropane-1,1-dicarboxamide
PubChem CID167819332
Molecular FormulaC17H18F2N4O2
Molecular Weight348.35 g/mol
Exact Mass348.14
IUPAC Name1-N'-(2,6-difluorophenyl)-1-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopropane-1,1-dicarboxamide
SMILESCc1nn(C)cc1CNC(=O)C1(C(=O)Nc2c(F)cccc2F)CC1
InChIInChI=1S/C17H18F2N4O2/c1-10-11(9-23(2)22-10)8-20-15(24)17(6-7-17)16(25)21-14-12(18)4-3-5-13(14)19/h3-5,9H,6-8H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyRGJPSBVNBVVHPC-UHFFFAOYSA-N
XLogP2.04
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzamide
CID 112668766
1-N'-(2,6-difluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975193
1-N'-(2,6-difluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979858
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-(methylamino)benzamide
CID 115991700
1-N'-(2,6-dichlorophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983822
1-N'-(2,6-difluorophenyl)-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide
CID 108983885
N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane
CID 142558548
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 19288393
1-N'-tert-butyl-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975673
1-N'-(3,4-difluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975773
1-N'-(2,4-dichlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975759
1-N-(4-tert-butylphenyl)-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982284

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2,6-difluorophenyl)-1-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2,6-difluorophenyl)-1-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopropane-1,1-dicarboxamide (CID 167819332) is 1-N'-(2,6-difluorophenyl)-1-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2,6-difluorophenyl)-1-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2,6-difluorophenyl)-1-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopropane-1,1-dicarboxamide is Cc1nn(C)cc1CNC(=O)C1(C(=O)Nc2c(F)cccc2F)CC1.
What is the InChIKey of 1-N'-(2,6-difluorophenyl)-1-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is RGJPSBVNBVVHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O2/c1-10-11(9-23(2)22-10)8-20-15(24)17(6-7-17)16(25)21-14-12(18)4-3-5-13(14)19/h3-5,9H,6-8H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of 1-N'-(2,6-difluorophenyl)-1-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopropane-1,1-dicarboxamide?
1-N'-(2,6-difluorophenyl)-1-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 348.35 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2,6-difluorophenyl)-1-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 167819332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).