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

C20H18ClN3O2 — CID 156753750

IUPAC4-[5-(2-chloro-7-ethoxyquinolin-3-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
SMILESCCOc1ccc2cc(C3CC(c4ccc(O)cc4)=NN3)c(Cl)nc2c1
InChIInChI=1S/C20H18ClN3O2/c1-2-26-15-8-5-13-9-16(20(21)22-17(13)10-15)19-11-18(23-24-19)12-3-6-14(25)7-4-12/h3-10,19,24-25H,2,11H2,1H3
InChIKeyMNRKWWZRBGIPPR-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.43
Rot. Bonds4

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

4-[5-(2-chloro-7-ethoxyquinolin-3-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol (PubChem CID 156753750) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 4-[5-(2-chloro-7-ethoxyquinolin-3-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-(2-chloro-7-ethoxyquinolin-3-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
PubChem CID156753750
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name4-[5-(2-chloro-7-ethoxyquinolin-3-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
SMILESCCOc1ccc2cc(C3CC(c4ccc(O)cc4)=NN3)c(Cl)nc2c1
InChIInChI=1S/C20H18ClN3O2/c1-2-26-15-8-5-13-9-16(20(21)22-17(13)10-15)19-11-18(23-24-19)12-3-6-14(25)7-4-12/h3-10,19,24-25H,2,11H2,1H3
InChIKeyMNRKWWZRBGIPPR-UHFFFAOYSA-N
XLogP4.43
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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]-2-chloro-7-methylquinoline
CID 3101627
1-[(3S)-3-(2-chloro-7-ethoxyquinolin-3-yl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 96533971
1-[3-(2-chloro-7-ethoxyquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 23767044
4-[(3R)-3-(2-chloro-7-ethoxyquinolin-3-yl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 96533978
2-chloro-7-ethoxy-3-methylquinoline
CID 145082192
5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
CID 4738355
1-[(3R)-3-(2-chloro-7-ethoxyquinolin-3-yl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 97058526
2-chloro-7-methyl-3-[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline
CID 10915547
5-[2-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]-3-phenyl-4,5-dihydro-1H-pyrazole
CID 67765708
4-[3-[4-[[4,6-bis(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 71493357
4-methyl-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 43826645
4-chloro-2-[(5R)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 945002

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-chloro-7-ethoxyquinolin-3-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The IUPAC name of 4-[5-(2-chloro-7-ethoxyquinolin-3-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol (CID 156753750) is 4-[5-(2-chloro-7-ethoxyquinolin-3-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 4-[5-(2-chloro-7-ethoxyquinolin-3-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 4-[5-(2-chloro-7-ethoxyquinolin-3-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol is CCOc1ccc2cc(C3CC(c4ccc(O)cc4)=NN3)c(Cl)nc2c1.
What is the InChIKey of 4-[5-(2-chloro-7-ethoxyquinolin-3-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The InChIKey is MNRKWWZRBGIPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-2-26-15-8-5-13-9-16(20(21)22-17(13)10-15)19-11-18(23-24-19)12-3-6-14(25)7-4-12/h3-10,19,24-25H,2,11H2,1H3.
What are the key properties of 4-[5-(2-chloro-7-ethoxyquinolin-3-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
4-[5-(2-chloro-7-ethoxyquinolin-3-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol has a molecular weight of 367.84 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-chloro-7-ethoxyquinolin-3-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 156753750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).