N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methylquinoline-6-carboxamide

C20H14F2N4O — CID 166350451

IUPACN-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methylquinoline-6-carboxamide
SMILESCc1ccnc2ccc(C(=O)Nc3cc(-c4cc(F)cc(F)c4)[nH]n3)cc12
InChIInChI=1S/C20H14F2N4O/c1-11-4-5-23-17-3-2-12(8-16(11)17)20(27)24-19-10-18(25-26-19)13-6-14(21)9-15(22)7-13/h2-10H,1H3,(H2,24,25,26,27)
InChIKeyDETBPDIOJMBZFP-UHFFFAOYSA-N
MW364.36 g/mol
LogP4.46
Rot. Bonds3

About N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methylquinoline-6-carboxamide

N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methylquinoline-6-carboxamide (PubChem CID 166350451) has the molecular formula C20H14F2N4O and a molecular weight of 364.36 g/mol. Its IUPAC name is N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methylquinoline-6-carboxamide
PubChem CID166350451
Molecular FormulaC20H14F2N4O
Molecular Weight364.36 g/mol
Exact Mass364.11
IUPAC NameN-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methylquinoline-6-carboxamide
SMILESCc1ccnc2ccc(C(=O)Nc3cc(-c4cc(F)cc(F)c4)[nH]n3)cc12
InChIInChI=1S/C20H14F2N4O/c1-11-4-5-23-17-3-2-12(8-16(11)17)20(27)24-19-10-18(25-26-19)13-6-14(21)9-15(22)7-13/h2-10H,1H3,(H2,24,25,26,27)
InChIKeyDETBPDIOJMBZFP-UHFFFAOYSA-N
XLogP4.46
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]pyridine-4-carboxamide
CID 166321531
6-amino-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 166319450
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide
CID 140931669
N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-6-oxo-1H-pyridine-2-carboxamide
CID 166182620
N-[5-(3-bromo-5-fluorophenyl)-1H-pyrazol-3-yl]-3-methylsulfonylbenzamide
CID 75419066
3-(4-fluorophenyl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-2,1-benzoxazole-5-carboxamide
CID 154806744
N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-fluoro-1H-indole-2-carboxamide
CID 154868616
3-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide
CID 95753070
4-methylquinoline-6-carboxylic acid;hydrochloride
CID 71811102
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-methyl-1H-pyrazole-3-carboxamide;formic acid
CID 163341612
3-fluoro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404897
N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 154863256

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methylquinoline-6-carboxamide?
The IUPAC name of N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methylquinoline-6-carboxamide (CID 166350451) is N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methylquinoline-6-carboxamide.
What is the SMILES notation for N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methylquinoline-6-carboxamide?
The canonical SMILES for N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methylquinoline-6-carboxamide is Cc1ccnc2ccc(C(=O)Nc3cc(-c4cc(F)cc(F)c4)[nH]n3)cc12.
What is the InChIKey of N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methylquinoline-6-carboxamide?
The InChIKey is DETBPDIOJMBZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O/c1-11-4-5-23-17-3-2-12(8-16(11)17)20(27)24-19-10-18(25-26-19)13-6-14(21)9-15(22)7-13/h2-10H,1H3,(H2,24,25,26,27).
What are the key properties of N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methylquinoline-6-carboxamide?
N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methylquinoline-6-carboxamide has a molecular weight of 364.36 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methylquinoline-6-carboxamide is sourced from PubChem (CID 166350451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).