3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-chloro-7-methylquinoline

C19H15BrClN3 — CID 3101627

IUPAC3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-chloro-7-methylquinoline
SMILESCc1ccc2cc(C3CC(c4ccc(Br)cc4)=NN3)c(Cl)nc2c1
InChIInChI=1S/C19H15BrClN3/c1-11-2-3-13-9-15(19(21)22-16(13)8-11)18-10-17(23-24-18)12-4-6-14(20)7-5-12/h2-9,18,24H,10H2,1H3
InChIKeyLQWLMXRCJMTFCE-UHFFFAOYSA-N
MW400.71 g/mol
LogP5.40
Rot. Bonds2

About 3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-chloro-7-methylquinoline

3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-chloro-7-methylquinoline (PubChem CID 3101627) has the molecular formula C19H15BrClN3 and a molecular weight of 400.71 g/mol. Its IUPAC name is 3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-chloro-7-methylquinoline.

Molecular Properties

Compound Name3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-chloro-7-methylquinoline
PubChem CID3101627
Molecular FormulaC19H15BrClN3
Molecular Weight400.71 g/mol
Exact Mass399.01
IUPAC Name3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-chloro-7-methylquinoline
SMILESCc1ccc2cc(C3CC(c4ccc(Br)cc4)=NN3)c(Cl)nc2c1
InChIInChI=1S/C19H15BrClN3/c1-11-2-3-13-9-15(19(21)22-16(13)8-11)18-10-17(23-24-18)12-4-6-14(20)7-5-12/h2-9,18,24H,10H2,1H3
InChIKeyLQWLMXRCJMTFCE-UHFFFAOYSA-N
XLogP5.40
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.71
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-7-methyl-1H-quinolin-2-one
CID 3095071
2-chloro-7-methyl-3-[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline
CID 10915547
4-[5-(2-chloro-7-ethoxyquinolin-3-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 156753750
4-methyl-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 43826645
2-[(5R)-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1H-benzimidazole
CID 6934859
4-chloro-2-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 945002
3-(4-bromophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
CID 15628692
3-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole
CID 14956433
5-(4-bromophenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole
CID 23583457
5-anthracen-9-yl-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole
CID 54597436
5-[(3S)-3-(2-chloro-7-methylquinolin-3-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
CID 92848135
5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
CID 4738355

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-chloro-7-methylquinoline?
The IUPAC name of 3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-chloro-7-methylquinoline (CID 3101627) is 3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-chloro-7-methylquinoline.
What is the SMILES notation for 3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-chloro-7-methylquinoline?
The canonical SMILES for 3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-chloro-7-methylquinoline is Cc1ccc2cc(C3CC(c4ccc(Br)cc4)=NN3)c(Cl)nc2c1.
What is the InChIKey of 3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-chloro-7-methylquinoline?
The InChIKey is LQWLMXRCJMTFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClN3/c1-11-2-3-13-9-15(19(21)22-16(13)8-11)18-10-17(23-24-18)12-4-6-14(20)7-5-12/h2-9,18,24H,10H2,1H3.
What are the key properties of 3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-chloro-7-methylquinoline?
3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-chloro-7-methylquinoline has a molecular weight of 400.71 g/mol, XLogP of 5.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-chloro-7-methylquinoline is sourced from PubChem (CID 3101627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).