3-N,5-N-bis(3,4-difluorophenyl)-1-methylpyrazole-3,5-dicarboxamide

C18H12F4N4O2 — CID 29097127

IUPAC3-N,5-N-bis(3,4-difluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
SMILESCn1nc(C(=O)Nc2ccc(F)c(F)c2)cc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H12F4N4O2/c1-26-16(18(28)24-10-3-5-12(20)14(22)7-10)8-15(25-26)17(27)23-9-2-4-11(19)13(21)6-9/h2-8H,1H3,(H,23,27)(H,24,28)
InChIKeyVTDDIJYTDHJEMD-UHFFFAOYSA-N
MW392.31 g/mol
LogP3.48
Rot. Bonds4

About 3-N,5-N-bis(3,4-difluorophenyl)-1-methylpyrazole-3,5-dicarboxamide

3-N,5-N-bis(3,4-difluorophenyl)-1-methylpyrazole-3,5-dicarboxamide (PubChem CID 29097127) has the molecular formula C18H12F4N4O2 and a molecular weight of 392.31 g/mol. Its IUPAC name is 3-N,5-N-bis(3,4-difluorophenyl)-1-methylpyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N,5-N-bis(3,4-difluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
PubChem CID29097127
Molecular FormulaC18H12F4N4O2
Molecular Weight392.31 g/mol
Exact Mass392.09
IUPAC Name3-N,5-N-bis(3,4-difluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
SMILESCn1nc(C(=O)Nc2ccc(F)c(F)c2)cc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H12F4N4O2/c1-26-16(18(28)24-10-3-5-12(20)14(22)7-10)8-15(25-26)17(27)23-9-2-4-11(19)13(21)6-9/h2-8H,1H3,(H,23,27)(H,24,28)
InChIKeyVTDDIJYTDHJEMD-UHFFFAOYSA-N
XLogP3.48
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.31
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N,5-N-bis(3-fluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097363
1-methyl-3-N,5-N-bis(4-methylphenyl)pyrazole-3,5-dicarboxamide
CID 679026
ethyl 3-[(3-fluoro-4-methylphenyl)carbamoyl]-1-methylpyrazole-5-carboxylate
CID 843011
methyl 3-[(4-fluorophenyl)carbamoyl]-1-methylpyrazole-5-carboxylate
CID 5303442
N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 2571943
N-(3-chlorophenyl)-5-(3,4-difluorophenyl)-1-methylpyrazole-3-carboxamide
CID 42879099
5-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 109200977
4-[(2,5-dimethylpyrazole-3-carbonyl)amino]-2-fluorobenzoic acid
CID 103791549
4-[(2,5-dimethylpyrazole-3-carbonyl)amino]-2-fluorobenzenesulfonyl chloride
CID 66128821
N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 62045147
N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 6465834
4-amino-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 62154867

Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-bis(3,4-difluorophenyl)-1-methylpyrazole-3,5-dicarboxamide?
The IUPAC name of 3-N,5-N-bis(3,4-difluorophenyl)-1-methylpyrazole-3,5-dicarboxamide (CID 29097127) is 3-N,5-N-bis(3,4-difluorophenyl)-1-methylpyrazole-3,5-dicarboxamide.
What is the SMILES notation for 3-N,5-N-bis(3,4-difluorophenyl)-1-methylpyrazole-3,5-dicarboxamide?
The canonical SMILES for 3-N,5-N-bis(3,4-difluorophenyl)-1-methylpyrazole-3,5-dicarboxamide is Cn1nc(C(=O)Nc2ccc(F)c(F)c2)cc1C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 3-N,5-N-bis(3,4-difluorophenyl)-1-methylpyrazole-3,5-dicarboxamide?
The InChIKey is VTDDIJYTDHJEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N4O2/c1-26-16(18(28)24-10-3-5-12(20)14(22)7-10)8-15(25-26)17(27)23-9-2-4-11(19)13(21)6-9/h2-8H,1H3,(H,23,27)(H,24,28).
What are the key properties of 3-N,5-N-bis(3,4-difluorophenyl)-1-methylpyrazole-3,5-dicarboxamide?
3-N,5-N-bis(3,4-difluorophenyl)-1-methylpyrazole-3,5-dicarboxamide has a molecular weight of 392.31 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-bis(3,4-difluorophenyl)-1-methylpyrazole-3,5-dicarboxamide is sourced from PubChem (CID 29097127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).