N-(8-fluoroquinolin-3-yl)-4-(1H-pyrazol-4-yl)benzamide

C19H13FN4O — CID 154795411

IUPACN-(8-fluoroquinolin-3-yl)-4-(1H-pyrazol-4-yl)benzamide
SMILESO=C(Nc1cnc2c(F)cccc2c1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C19H13FN4O/c20-17-3-1-2-14-8-16(11-21-18(14)17)24-19(25)13-6-4-12(5-7-13)15-9-22-23-10-15/h1-11H,(H,22,23)(H,24,25)
InChIKeyJROZDDPWMDOPIK-UHFFFAOYSA-N
MW332.34 g/mol
LogP4.02
Rot. Bonds3

About N-(8-fluoroquinolin-3-yl)-4-(1H-pyrazol-4-yl)benzamide

N-(8-fluoroquinolin-3-yl)-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 154795411) has the molecular formula C19H13FN4O and a molecular weight of 332.34 g/mol. Its IUPAC name is N-(8-fluoroquinolin-3-yl)-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(8-fluoroquinolin-3-yl)-4-(1H-pyrazol-4-yl)benzamide
PubChem CID154795411
Molecular FormulaC19H13FN4O
Molecular Weight332.34 g/mol
Exact Mass332.11
IUPAC NameN-(8-fluoroquinolin-3-yl)-4-(1H-pyrazol-4-yl)benzamide
SMILESO=C(Nc1cnc2c(F)cccc2c1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C19H13FN4O/c20-17-3-1-2-14-8-16(11-21-18(14)17)24-19(25)13-6-4-12(5-7-13)15-9-22-23-10-15/h1-11H,(H,22,23)(H,24,25)
InChIKeyJROZDDPWMDOPIK-UHFFFAOYSA-N
XLogP4.02
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-4-(1H-pyrazol-4-yl)benzamide
CID 110464321
8-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide
CID 110489691
8-fluoro-N-pyridin-4-ylquinoline-3-carboxamide
CID 110489666
N-(3-hydroxy-2-pyridinyl)-4-(1H-pyrazol-4-yl)benzamide
CID 110464333
4-(1H-pyrazol-4-yl)-N-(1,3-thiazol-2-yl)benzamide
CID 110464300
N-[3,4-difluoro-5-[3-(1H-pyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]-3-fluorobenzamide
CID 89445075
N-(8-fluoroquinolin-3-yl)-4-methylpiperazine-1-carboxamide
CID 155961191
1-(8-fluoroquinolin-3-yl)ethanone
CID 75355413
4-(4-fluorophenyl)-1H-pyrazole
CID 15376482
N-ethyl-4-(1H-pyrazol-4-yl)benzamide
CID 110464248
N-tert-butyl-4-(1H-pyrazol-4-yl)benzamide
CID 110464260
4-methyl-N-quinolin-3-ylbenzamide
CID 974969

Frequently Asked Questions

What is the IUPAC name of N-(8-fluoroquinolin-3-yl)-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-(8-fluoroquinolin-3-yl)-4-(1H-pyrazol-4-yl)benzamide (CID 154795411) is N-(8-fluoroquinolin-3-yl)-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-(8-fluoroquinolin-3-yl)-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-(8-fluoroquinolin-3-yl)-4-(1H-pyrazol-4-yl)benzamide is O=C(Nc1cnc2c(F)cccc2c1)c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of N-(8-fluoroquinolin-3-yl)-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is JROZDDPWMDOPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O/c20-17-3-1-2-14-8-16(11-21-18(14)17)24-19(25)13-6-4-12(5-7-13)15-9-22-23-10-15/h1-11H,(H,22,23)(H,24,25).
What are the key properties of N-(8-fluoroquinolin-3-yl)-4-(1H-pyrazol-4-yl)benzamide?
N-(8-fluoroquinolin-3-yl)-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 332.34 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-fluoroquinolin-3-yl)-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 154795411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).