4-N,5-N-bis(2-fluoro-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide

C20H18F2N4O2 — CID 29096933

IUPAC4-N,5-N-bis(2-fluoro-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide
SMILESCc1ccc(F)c(NC(=O)c2cnn(C)c2C(=O)Nc2cc(C)ccc2F)c1
InChIInChI=1S/C20H18F2N4O2/c1-11-4-6-14(21)16(8-11)24-19(27)13-10-23-26(3)18(13)20(28)25-17-9-12(2)5-7-15(17)22/h4-10H,1-3H3,(H,24,27)(H,25,28)
InChIKeyZESZOBAAMIOELA-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.82
Rot. Bonds4

About 4-N,5-N-bis(2-fluoro-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide

4-N,5-N-bis(2-fluoro-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide (PubChem CID 29096933) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is 4-N,5-N-bis(2-fluoro-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N,5-N-bis(2-fluoro-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide
PubChem CID29096933
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name4-N,5-N-bis(2-fluoro-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide
SMILESCc1ccc(F)c(NC(=O)c2cnn(C)c2C(=O)Nc2cc(C)ccc2F)c1
InChIInChI=1S/C20H18F2N4O2/c1-11-4-6-14(21)16(8-11)24-19(27)13-10-23-26(3)18(13)20(28)25-17-9-12(2)5-7-15(17)22/h4-10H,1-3H3,(H,24,27)(H,25,28)
InChIKeyZESZOBAAMIOELA-UHFFFAOYSA-N
XLogP3.82
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N,5-N-bis(2-fluoro-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide?
The IUPAC name of 4-N,5-N-bis(2-fluoro-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide (CID 29096933) is 4-N,5-N-bis(2-fluoro-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N,5-N-bis(2-fluoro-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide?
The canonical SMILES for 4-N,5-N-bis(2-fluoro-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide is Cc1ccc(F)c(NC(=O)c2cnn(C)c2C(=O)Nc2cc(C)ccc2F)c1.
What is the InChIKey of 4-N,5-N-bis(2-fluoro-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide?
The InChIKey is ZESZOBAAMIOELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c1-11-4-6-14(21)16(8-11)24-19(27)13-10-23-26(3)18(13)20(28)25-17-9-12(2)5-7-15(17)22/h4-10H,1-3H3,(H,24,27)(H,25,28).
What are the key properties of 4-N,5-N-bis(2-fluoro-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide?
4-N,5-N-bis(2-fluoro-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide has a molecular weight of 384.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-N-bis(2-fluoro-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide is sourced from PubChem (CID 29096933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).