2-[[4-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]phenyl]methoxy]ethanol

C15H17ClF3N3O2 — CID 167744543

IUPAC2-[[4-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]phenyl]methoxy]ethanol
SMILESCn1nc(C(F)(F)F)c(CNc2ccc(COCCO)cc2)c1Cl
InChIInChI=1S/C15H17ClF3N3O2/c1-22-14(16)12(13(21-22)15(17,18)19)8-20-11-4-2-10(3-5-11)9-24-7-6-23/h2-5,20,23H,6-9H2,1H3
InChIKeyQQLILAHCFFDUSM-UHFFFAOYSA-N
MW363.77 g/mol
LogP3.21
Rot. Bonds7

About 2-[[4-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]phenyl]methoxy]ethanol

2-[[4-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]phenyl]methoxy]ethanol (PubChem CID 167744543) has the molecular formula C15H17ClF3N3O2 and a molecular weight of 363.77 g/mol. Its IUPAC name is 2-[[4-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]phenyl]methoxy]ethanol.

Molecular Properties

Compound Name2-[[4-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]phenyl]methoxy]ethanol
PubChem CID167744543
Molecular FormulaC15H17ClF3N3O2
Molecular Weight363.77 g/mol
Exact Mass363.10
IUPAC Name2-[[4-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]phenyl]methoxy]ethanol
SMILESCn1nc(C(F)(F)F)c(CNc2ccc(COCCO)cc2)c1Cl
InChIInChI=1S/C15H17ClF3N3O2/c1-22-14(16)12(13(21-22)15(17,18)19)8-20-11-4-2-10(3-5-11)9-24-7-6-23/h2-5,20,23H,6-9H2,1H3
InChIKeyQQLILAHCFFDUSM-UHFFFAOYSA-N
XLogP3.21
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.77
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(3-Chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-[3-fluoro-4-(2-hydroxyethoxymethyl)phenyl]urea
CID 70815703
1-[[2-(3-Chloro-4-fluorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-[3-fluoro-4-(2-hydroxyethoxymethyl)phenyl]urea
CID 88995169
3-(2,2,2-trifluoroethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 86780322
[5-[[(5-Chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-2-fluorophenyl]methanol
CID 112415290
[5-[[(5-Chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]-2-fluorophenyl]methanol
CID 112415507
1-[(3-Chloro-1-propan-2-ylindazol-5-yl)methoxy]propan-2-ol
CID 174255619
4-[(4-Chloro-1,3-dimethylpyrazol-5-yl)methoxymethyl]aniline
CID 65860585
4-[(4-Chloro-1-ethyl-3-methylpyrazol-5-yl)methoxymethyl]aniline
CID 65871323
N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(methoxymethyl)aniline
CID 65878923
N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(methoxymethyl)aniline
CID 65878925
4-[(4-Chloro-1,3-diethylpyrazol-5-yl)methoxymethyl]aniline
CID 65886404
4-[(4-Chloro-3-ethyl-1-methylpyrazol-5-yl)methoxymethyl]aniline
CID 65901485

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]phenyl]methoxy]ethanol?
The IUPAC name of 2-[[4-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]phenyl]methoxy]ethanol (CID 167744543) is 2-[[4-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]phenyl]methoxy]ethanol.
What is the SMILES notation for 2-[[4-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]phenyl]methoxy]ethanol?
The canonical SMILES for 2-[[4-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]phenyl]methoxy]ethanol is Cn1nc(C(F)(F)F)c(CNc2ccc(COCCO)cc2)c1Cl.
What is the InChIKey of 2-[[4-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]phenyl]methoxy]ethanol?
The InChIKey is QQLILAHCFFDUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF3N3O2/c1-22-14(16)12(13(21-22)15(17,18)19)8-20-11-4-2-10(3-5-11)9-24-7-6-23/h2-5,20,23H,6-9H2,1H3.
What are the key properties of 2-[[4-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]phenyl]methoxy]ethanol?
2-[[4-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]phenyl]methoxy]ethanol has a molecular weight of 363.77 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]phenyl]methoxy]ethanol is sourced from PubChem (CID 167744543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).