N-(3,4-difluorophenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide

C29H24F2N4O — CID 46323522

IUPACN-(3,4-difluorophenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
SMILESCc1c(-c2cc(C(=O)Nc3ccc(F)c(F)c3)c3ccccc3n2)cnn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C29H24F2N4O/c1-17(2)19-8-11-21(12-9-19)35-18(3)24(16-32-35)28-15-23(22-6-4-5-7-27(22)34-28)29(36)33-20-10-13-25(30)26(31)14-20/h4-17H,1-3H3,(H,33,36)
InChIKeyXGEHQFZTFMDDEP-UHFFFAOYSA-N
MW482.53 g/mol
LogP7.05
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide

N-(3,4-difluorophenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide (PubChem CID 46323522) has the molecular formula C29H24F2N4O and a molecular weight of 482.53 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
PubChem CID46323522
Molecular FormulaC29H24F2N4O
Molecular Weight482.53 g/mol
Exact Mass482.19
IUPAC NameN-(3,4-difluorophenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
SMILESCc1c(-c2cc(C(=O)Nc3ccc(F)c(F)c3)c3ccccc3n2)cnn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C29H24F2N4O/c1-17(2)19-8-11-21(12-9-19)35-18(3)24(16-32-35)28-15-23(22-6-4-5-7-27(22)34-28)29(36)33-20-10-13-25(30)26(31)14-20/h4-17H,1-3H3,(H,33,36)
InChIKeyXGEHQFZTFMDDEP-UHFFFAOYSA-N
XLogP7.05
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.53
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 46323440
N-(3-chloro-4-methylphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323500
2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 46323368
N-(2-ethylphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323489
N-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide
CID 46323415
N-(2-methoxyphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323531
2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 50779234
N-cycloheptyl-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323484
N-(furan-2-ylmethyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323493
N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide
CID 46323419
N-(3-ethoxypropyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 50780853
2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(2-phenylpropyl)quinoline-4-carboxamide
CID 46323443

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide (CID 46323522) is N-(3,4-difluorophenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide is Cc1c(-c2cc(C(=O)Nc3ccc(F)c(F)c3)c3ccccc3n2)cnn1-c1ccc(C(C)C)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide?
The InChIKey is XGEHQFZTFMDDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F2N4O/c1-17(2)19-8-11-21(12-9-19)35-18(3)24(16-32-35)28-15-23(22-6-4-5-7-27(22)34-28)29(36)33-20-10-13-25(30)26(31)14-20/h4-17H,1-3H3,(H,33,36).
What are the key properties of N-(3,4-difluorophenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide?
N-(3,4-difluorophenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide has a molecular weight of 482.53 g/mol, XLogP of 7.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide is sourced from PubChem (CID 46323522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).