N-[4-(6-fluoro-8-propan-2-ylquinolin-2-yl)-2-methylphenyl]-2-methylpyrazole-3-carboxamide

C24H23FN4O — CID 137425355

IUPACN-[4-(6-fluoro-8-propan-2-ylquinolin-2-yl)-2-methylphenyl]-2-methylpyrazole-3-carboxamide
SMILESCc1cc(-c2ccc3cc(F)cc(C(C)C)c3n2)ccc1NC(=O)c1ccnn1C
InChIInChI=1S/C24H23FN4O/c1-14(2)19-13-18(25)12-17-6-8-21(27-23(17)19)16-5-7-20(15(3)11-16)28-24(30)22-9-10-26-29(22)4/h5-14H,1-4H3,(H,28,30)
InChIKeyVPZYLRFJHGSHBY-UHFFFAOYSA-N
MW402.47 g/mol
LogP5.46
Rot. Bonds4

About N-[4-(6-fluoro-8-propan-2-ylquinolin-2-yl)-2-methylphenyl]-2-methylpyrazole-3-carboxamide

N-[4-(6-fluoro-8-propan-2-ylquinolin-2-yl)-2-methylphenyl]-2-methylpyrazole-3-carboxamide (PubChem CID 137425355) has the molecular formula C24H23FN4O and a molecular weight of 402.47 g/mol. Its IUPAC name is N-[4-(6-fluoro-8-propan-2-ylquinolin-2-yl)-2-methylphenyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(6-fluoro-8-propan-2-ylquinolin-2-yl)-2-methylphenyl]-2-methylpyrazole-3-carboxamide
PubChem CID137425355
Molecular FormulaC24H23FN4O
Molecular Weight402.47 g/mol
Exact Mass402.19
IUPAC NameN-[4-(6-fluoro-8-propan-2-ylquinolin-2-yl)-2-methylphenyl]-2-methylpyrazole-3-carboxamide
SMILESCc1cc(-c2ccc3cc(F)cc(C(C)C)c3n2)ccc1NC(=O)c1ccnn1C
InChIInChI=1S/C24H23FN4O/c1-14(2)19-13-18(25)12-17-6-8-21(27-23(17)19)16-5-7-20(15(3)11-16)28-24(30)22-9-10-26-29(22)4/h5-14H,1-4H3,(H,28,30)
InChIKeyVPZYLRFJHGSHBY-UHFFFAOYSA-N
XLogP5.46
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.47
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-fluoro-4-(6-fluoroquinolin-2-yl)phenyl]-2-methylpyrazole-3-carboxamide
CID 137425596
N-[4-(difluoromethoxy)-2-methylphenyl]-2-methylpyrazole-3-carboxamide
CID 19475661
N-[2-fluoro-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-2-methylpyrazole-3-carboxamide
CID 137425538
2-methyl-N-[2-methyl-4-(4-methylcinnolin-6-yl)phenyl]pyrazole-3-carboxamide
CID 137425143
2-methyl-N-[2-methyl-4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]pyrazole-3-carboxamide
CID 137425267
N-[5-fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-methylpyrazole-3-carboxamide
CID 142520449
N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]pyridine-3-carboxamide
CID 137425184
N-(2-acetyl-5-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 75484643
2,4-difluoro-5-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 60829589
ethyl 4-fluoro-2-methyl-5-[(2-methylpyrazole-3-carbonyl)amino]benzoate
CID 154756470
N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 62918927
N-(2,4-dibromophenyl)-2-methylpyrazole-3-carboxamide
CID 47083946

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-fluoro-8-propan-2-ylquinolin-2-yl)-2-methylphenyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(6-fluoro-8-propan-2-ylquinolin-2-yl)-2-methylphenyl]-2-methylpyrazole-3-carboxamide (CID 137425355) is N-[4-(6-fluoro-8-propan-2-ylquinolin-2-yl)-2-methylphenyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(6-fluoro-8-propan-2-ylquinolin-2-yl)-2-methylphenyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(6-fluoro-8-propan-2-ylquinolin-2-yl)-2-methylphenyl]-2-methylpyrazole-3-carboxamide is Cc1cc(-c2ccc3cc(F)cc(C(C)C)c3n2)ccc1NC(=O)c1ccnn1C.
What is the InChIKey of N-[4-(6-fluoro-8-propan-2-ylquinolin-2-yl)-2-methylphenyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is VPZYLRFJHGSHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O/c1-14(2)19-13-18(25)12-17-6-8-21(27-23(17)19)16-5-7-20(15(3)11-16)28-24(30)22-9-10-26-29(22)4/h5-14H,1-4H3,(H,28,30).
What are the key properties of N-[4-(6-fluoro-8-propan-2-ylquinolin-2-yl)-2-methylphenyl]-2-methylpyrazole-3-carboxamide?
N-[4-(6-fluoro-8-propan-2-ylquinolin-2-yl)-2-methylphenyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 402.47 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-fluoro-8-propan-2-ylquinolin-2-yl)-2-methylphenyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 137425355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).