2-[1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]pyrazol-3-yl]oxy-N-methylethanamine

C19H19ClFN3O2 — CID 69471928

IUPAC2-[1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]pyrazol-3-yl]oxy-N-methylethanamine
SMILESCNCCOc1ccn(-c2ccc(OCc3cccc(F)c3)c(Cl)c2)n1
InChIInChI=1S/C19H19ClFN3O2/c1-22-8-10-25-19-7-9-24(23-19)16-5-6-18(17(20)12-16)26-13-14-3-2-4-15(21)11-14/h2-7,9,11-12,22H,8,10,13H2,1H3
InChIKeyPQSNTEBWJGJLFY-UHFFFAOYSA-N
MW375.83 g/mol
LogP3.84
Rot. Bonds8

About 2-[1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]pyrazol-3-yl]oxy-N-methylethanamine

2-[1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]pyrazol-3-yl]oxy-N-methylethanamine (PubChem CID 69471928) has the molecular formula C19H19ClFN3O2 and a molecular weight of 375.83 g/mol. Its IUPAC name is 2-[1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]pyrazol-3-yl]oxy-N-methylethanamine.

Molecular Properties

Compound Name2-[1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]pyrazol-3-yl]oxy-N-methylethanamine
PubChem CID69471928
Molecular FormulaC19H19ClFN3O2
Molecular Weight375.83 g/mol
Exact Mass375.11
IUPAC Name2-[1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]pyrazol-3-yl]oxy-N-methylethanamine
SMILESCNCCOc1ccn(-c2ccc(OCc3cccc(F)c3)c(Cl)c2)n1
InChIInChI=1S/C19H19ClFN3O2/c1-22-8-10-25-19-7-9-24(23-19)16-5-6-18(17(20)12-16)26-13-14-3-2-4-15(21)11-14/h2-7,9,11-12,22H,8,10,13H2,1H3
InChIKeyPQSNTEBWJGJLFY-UHFFFAOYSA-N
XLogP3.84
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.83
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-(2-methylpropyl)-2H-pyrrolo[3,2-d]pyrimidine
CID 141132075
1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2,5-dihydropyrrolo[3,2-d]pyrimidine
CID 141132035
1-[2-chloro-6-[(3-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 114318666
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 33064316
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(tetrazol-1-yl)benzamide
CID 33064509
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-(methoxymethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane;2-ethoxy-N-methylethanamine
CID 143077837
N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126126042
3-chloro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride
CID 43108388
4-chloro-N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 3875368
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-methoxyacetamide
CID 33064342
2-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 163281441

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]pyrazol-3-yl]oxy-N-methylethanamine?
The IUPAC name of 2-[1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]pyrazol-3-yl]oxy-N-methylethanamine (CID 69471928) is 2-[1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]pyrazol-3-yl]oxy-N-methylethanamine.
What is the SMILES notation for 2-[1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]pyrazol-3-yl]oxy-N-methylethanamine?
The canonical SMILES for 2-[1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]pyrazol-3-yl]oxy-N-methylethanamine is CNCCOc1ccn(-c2ccc(OCc3cccc(F)c3)c(Cl)c2)n1.
What is the InChIKey of 2-[1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]pyrazol-3-yl]oxy-N-methylethanamine?
The InChIKey is PQSNTEBWJGJLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O2/c1-22-8-10-25-19-7-9-24(23-19)16-5-6-18(17(20)12-16)26-13-14-3-2-4-15(21)11-14/h2-7,9,11-12,22H,8,10,13H2,1H3.
What are the key properties of 2-[1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]pyrazol-3-yl]oxy-N-methylethanamine?
2-[1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]pyrazol-3-yl]oxy-N-methylethanamine has a molecular weight of 375.83 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]pyrazol-3-yl]oxy-N-methylethanamine is sourced from PubChem (CID 69471928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).