2-[1-(4-chlorophenyl)-1-(1-methylpyrazol-4-yl)ethoxy]-N,N-dimethylethanamine

C16H22ClN3O — CID 11515079

IUPAC2-[1-(4-chlorophenyl)-1-(1-methylpyrazol-4-yl)ethoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOC(C)(c1ccc(Cl)cc1)c1cnn(C)c1
InChIInChI=1S/C16H22ClN3O/c1-16(21-10-9-19(2)3,14-11-18-20(4)12-14)13-5-7-15(17)8-6-13/h5-8,11-12H,9-10H2,1-4H3
InChIKeyNGFBPIFIBFWFSB-UHFFFAOYSA-N
MW307.83 g/mol
LogP2.92
Rot. Bonds6

About 2-[1-(4-chlorophenyl)-1-(1-methylpyrazol-4-yl)ethoxy]-N,N-dimethylethanamine

2-[1-(4-chlorophenyl)-1-(1-methylpyrazol-4-yl)ethoxy]-N,N-dimethylethanamine (PubChem CID 11515079) has the molecular formula C16H22ClN3O and a molecular weight of 307.83 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-1-(1-methylpyrazol-4-yl)ethoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-1-(1-methylpyrazol-4-yl)ethoxy]-N,N-dimethylethanamine
PubChem CID11515079
Molecular FormulaC16H22ClN3O
Molecular Weight307.83 g/mol
Exact Mass307.15
IUPAC Name2-[1-(4-chlorophenyl)-1-(1-methylpyrazol-4-yl)ethoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOC(C)(c1ccc(Cl)cc1)c1cnn(C)c1
InChIInChI=1S/C16H22ClN3O/c1-16(21-10-9-19(2)3,14-11-18-20(4)12-14)13-5-7-15(17)8-6-13/h5-8,11-12H,9-10H2,1-4H3
InChIKeyNGFBPIFIBFWFSB-UHFFFAOYSA-N
XLogP2.92
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-Chlorophenyl)-phenylmethoxy]-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 44529676
1-[1-Tert-butylsulfanyl-2-(4-chlorophenyl)-2-ethoxyethyl]pyrazole
CID 46230901
4-[(4-Chloro-3-fluorophenyl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
CID 84594023
(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-1-[(1-methylpyrazol-4-yl)methyl]-2-phenylpiperidine
CID 164611678
2-(4-chlorophenyl)-4-[3-(4-chloro-1H-pyrazol-1-yl)propanoyl]morpholine
CID 56746878
4-(4-Chlorophenyl)-1-[2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrazole
CID 4063254
(2R)-2-(4-chlorophenyl)-4-[3-(4-methylpyrazol-1-yl)propyl]morpholine
CID 95549316
N-[(4-chloro-2-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine
CID 121429607
N-[(4-chloro-2-fluorophenyl)methyl]-N-methyl-2-[[2-(2-methylpyrazol-3-yl)phenyl]methoxy]ethanamine
CID 132016740
N-[(4-chloro-2-fluorophenyl)methyl]-N-methyl-2-[[4-(2-methylpyrazol-3-yl)phenyl]methoxy]ethanamine
CID 132016741
(1E,3E)-2-[1-(2-chloro-5-fluorophenyl)ethoxy]-1-(methylideneamino)-4-(1-methylpyrazol-4-yl)penta-1,3-dien-1-amine
CID 156484373
(1E,3E)-2-[1-(2-chloro-5-fluorophenyl)ethoxy]-4-[1-(3-methoxypropyl)pyrazol-4-yl]-1-(methylideneamino)penta-1,3-dien-1-amine
CID 156484380

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-1-(1-methylpyrazol-4-yl)ethoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[1-(4-chlorophenyl)-1-(1-methylpyrazol-4-yl)ethoxy]-N,N-dimethylethanamine (CID 11515079) is 2-[1-(4-chlorophenyl)-1-(1-methylpyrazol-4-yl)ethoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-1-(1-methylpyrazol-4-yl)ethoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[1-(4-chlorophenyl)-1-(1-methylpyrazol-4-yl)ethoxy]-N,N-dimethylethanamine is CN(C)CCOC(C)(c1ccc(Cl)cc1)c1cnn(C)c1.
What is the InChIKey of 2-[1-(4-chlorophenyl)-1-(1-methylpyrazol-4-yl)ethoxy]-N,N-dimethylethanamine?
The InChIKey is NGFBPIFIBFWFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-16(21-10-9-19(2)3,14-11-18-20(4)12-14)13-5-7-15(17)8-6-13/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 2-[1-(4-chlorophenyl)-1-(1-methylpyrazol-4-yl)ethoxy]-N,N-dimethylethanamine?
2-[1-(4-chlorophenyl)-1-(1-methylpyrazol-4-yl)ethoxy]-N,N-dimethylethanamine has a molecular weight of 307.83 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-1-(1-methylpyrazol-4-yl)ethoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 11515079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).