1-(2,6-difluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide

C20H14F2N4O — CID 137375530

IUPAC1-(2,6-difluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc3ccccc3n2)cnn1-c1c(F)cccc1F
InChIInChI=1S/C20H14F2N4O/c1-12-14(11-23-26(12)19-15(21)6-4-7-16(19)22)20(27)25-18-10-9-13-5-2-3-8-17(13)24-18/h2-11H,1H3,(H,24,25,27)
InChIKeyLTEVRAKOWXNQTK-UHFFFAOYSA-N
MW364.36 g/mol
LogP4.26
Rot. Bonds3

About 1-(2,6-difluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide

1-(2,6-difluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide (PubChem CID 137375530) has the molecular formula C20H14F2N4O and a molecular weight of 364.36 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
PubChem CID137375530
Molecular FormulaC20H14F2N4O
Molecular Weight364.36 g/mol
Exact Mass364.11
IUPAC Name1-(2,6-difluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc3ccccc3n2)cnn1-c1c(F)cccc1F
InChIInChI=1S/C20H14F2N4O/c1-12-14(11-23-26(12)19-15(21)6-4-7-16(19)22)20(27)25-18-10-9-13-5-2-3-8-17(13)24-18/h2-11H,1H3,(H,24,25,27)
InChIKeyLTEVRAKOWXNQTK-UHFFFAOYSA-N
XLogP4.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(2,6-difluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide (CID 137375530) is 1-(2,6-difluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2,6-difluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2,6-difluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc3ccccc3n2)cnn1-c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The InChIKey is LTEVRAKOWXNQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O/c1-12-14(11-23-26(12)19-15(21)6-4-7-16(19)22)20(27)25-18-10-9-13-5-2-3-8-17(13)24-18/h2-11H,1H3,(H,24,25,27).
What are the key properties of 1-(2,6-difluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide?
1-(2,6-difluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide has a molecular weight of 364.36 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 137375530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).