1-N,4-N-bis[5-(difluoromethyl)-1-methylpyrazol-4-yl]benzene-1,4-dicarboxamide

C18H16F4N6O2 — CID 166188378

IUPAC1-N,4-N-bis[5-(difluoromethyl)-1-methylpyrazol-4-yl]benzene-1,4-dicarboxamide
SMILESCn1ncc(NC(=O)c2ccc(C(=O)Nc3cnn(C)c3C(F)F)cc2)c1C(F)F
InChIInChI=1S/C18H16F4N6O2/c1-27-13(15(19)20)11(7-23-27)25-17(29)9-3-5-10(6-4-9)18(30)26-12-8-24-28(2)14(12)16(21)22/h3-8,15-16H,1-2H3,(H,25,29)(H,26,30)
InChIKeyAYBSWKAUOXJXNN-UHFFFAOYSA-N
MW424.36 g/mol
LogP3.53
Rot. Bonds6

About 1-N,4-N-bis[5-(difluoromethyl)-1-methylpyrazol-4-yl]benzene-1,4-dicarboxamide

1-N,4-N-bis[5-(difluoromethyl)-1-methylpyrazol-4-yl]benzene-1,4-dicarboxamide (PubChem CID 166188378) has the molecular formula C18H16F4N6O2 and a molecular weight of 424.36 g/mol. Its IUPAC name is 1-N,4-N-bis[5-(difluoromethyl)-1-methylpyrazol-4-yl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[5-(difluoromethyl)-1-methylpyrazol-4-yl]benzene-1,4-dicarboxamide
PubChem CID166188378
Molecular FormulaC18H16F4N6O2
Molecular Weight424.36 g/mol
Exact Mass424.13
IUPAC Name1-N,4-N-bis[5-(difluoromethyl)-1-methylpyrazol-4-yl]benzene-1,4-dicarboxamide
SMILESCn1ncc(NC(=O)c2ccc(C(=O)Nc3cnn(C)c3C(F)F)cc2)c1C(F)F
InChIInChI=1S/C18H16F4N6O2/c1-27-13(15(19)20)11(7-23-27)25-17(29)9-3-5-10(6-4-9)18(30)26-12-8-24-28(2)14(12)16(21)22/h3-8,15-16H,1-2H3,(H,25,29)(H,26,30)
InChIKeyAYBSWKAUOXJXNN-UHFFFAOYSA-N
XLogP3.53
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.36
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(methylamino)pyridine-3-carboxamide
CID 138016934
4-[(4-fluorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 4867279
4-[(4-chlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 4862680
2-(benzimidazol-1-yl)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-phenylacetamide
CID 154858240
4-[[3-(difluoromethoxy)benzoyl]amino]-1-methylpyrazole-5-carboxamide
CID 19412265
1-methyl-4-[(4-nitrobenzoyl)amino]pyrazole-5-carboxylic acid
CID 19406253
4-acetamido-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide
CID 110664717
5-(difluoromethyl)-1-methyl-N-(3-oxo-1,2-dihydroisoindol-4-yl)pyrazole-4-carboxamide
CID 75445066
N-[2-(difluoromethylsulfanyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 36670976
N-[2-(2-cyclopropylcyclopropyl)phenyl]-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 59685873
3-[4-[[5-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]phenyl]prop-2-enoic acid
CID 91943295
4-cyano-N-(4-cyano-1-methylpyrazol-5-yl)benzamide
CID 112723104

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[5-(difluoromethyl)-1-methylpyrazol-4-yl]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[5-(difluoromethyl)-1-methylpyrazol-4-yl]benzene-1,4-dicarboxamide (CID 166188378) is 1-N,4-N-bis[5-(difluoromethyl)-1-methylpyrazol-4-yl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[5-(difluoromethyl)-1-methylpyrazol-4-yl]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[5-(difluoromethyl)-1-methylpyrazol-4-yl]benzene-1,4-dicarboxamide is Cn1ncc(NC(=O)c2ccc(C(=O)Nc3cnn(C)c3C(F)F)cc2)c1C(F)F.
What is the InChIKey of 1-N,4-N-bis[5-(difluoromethyl)-1-methylpyrazol-4-yl]benzene-1,4-dicarboxamide?
The InChIKey is AYBSWKAUOXJXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N6O2/c1-27-13(15(19)20)11(7-23-27)25-17(29)9-3-5-10(6-4-9)18(30)26-12-8-24-28(2)14(12)16(21)22/h3-8,15-16H,1-2H3,(H,25,29)(H,26,30).
What are the key properties of 1-N,4-N-bis[5-(difluoromethyl)-1-methylpyrazol-4-yl]benzene-1,4-dicarboxamide?
1-N,4-N-bis[5-(difluoromethyl)-1-methylpyrazol-4-yl]benzene-1,4-dicarboxamide has a molecular weight of 424.36 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[5-(difluoromethyl)-1-methylpyrazol-4-yl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 166188378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).