2-[(2,5-dimethylpyrazol-3-yl)-phenylmethoxy]-N,N-dimethylethanamine

C16H23N3O — CID 11687687

IUPAC2-[(2,5-dimethylpyrazol-3-yl)-phenylmethoxy]-N,N-dimethylethanamine
SMILESCc1cc(C(OCCN(C)C)c2ccccc2)n(C)n1
InChIInChI=1S/C16H23N3O/c1-13-12-15(19(4)17-13)16(20-11-10-18(2)3)14-8-6-5-7-9-14/h5-9,12,16H,10-11H2,1-4H3
InChIKeyIUHGHUIFWRTGTR-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.40
Rot. Bonds6

About 2-[(2,5-dimethylpyrazol-3-yl)-phenylmethoxy]-N,N-dimethylethanamine

2-[(2,5-dimethylpyrazol-3-yl)-phenylmethoxy]-N,N-dimethylethanamine (PubChem CID 11687687) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[(2,5-dimethylpyrazol-3-yl)-phenylmethoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(2,5-dimethylpyrazol-3-yl)-phenylmethoxy]-N,N-dimethylethanamine
PubChem CID11687687
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[(2,5-dimethylpyrazol-3-yl)-phenylmethoxy]-N,N-dimethylethanamine
SMILESCc1cc(C(OCCN(C)C)c2ccccc2)n(C)n1
InChIInChI=1S/C16H23N3O/c1-13-12-15(19(4)17-13)16(20-11-10-18(2)3)14-8-6-5-7-9-14/h5-9,12,16H,10-11H2,1-4H3
InChIKeyIUHGHUIFWRTGTR-UHFFFAOYSA-N
XLogP2.40
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 56690077
2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride
CID 117071490
2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 1224093
N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine
CID 4601
2-[(4-fluorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 3028323
2-benzhydryloxy-N,N-dimethylethanamine;perchloric acid
CID 71349931
2-[(4-chlorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 29152
4-[(S)-2-(dimethylamino)ethoxy-phenylmethyl]phenol
CID 99923178
2-[(4-methoxyphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 10669
(2,5-dimethylpyrazol-3-yl)-phenylmethanol
CID 105076375
N,N-dimethyl-2-[(2,3,4,5,6-pentadeuteriophenyl)-phenylmethoxy]ethanamine;hydrochloride
CID 76974743
2-[(2,6-diethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 171986365

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylpyrazol-3-yl)-phenylmethoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[(2,5-dimethylpyrazol-3-yl)-phenylmethoxy]-N,N-dimethylethanamine (CID 11687687) is 2-[(2,5-dimethylpyrazol-3-yl)-phenylmethoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(2,5-dimethylpyrazol-3-yl)-phenylmethoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(2,5-dimethylpyrazol-3-yl)-phenylmethoxy]-N,N-dimethylethanamine is Cc1cc(C(OCCN(C)C)c2ccccc2)n(C)n1.
What is the InChIKey of 2-[(2,5-dimethylpyrazol-3-yl)-phenylmethoxy]-N,N-dimethylethanamine?
The InChIKey is IUHGHUIFWRTGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13-12-15(19(4)17-13)16(20-11-10-18(2)3)14-8-6-5-7-9-14/h5-9,12,16H,10-11H2,1-4H3.
What are the key properties of 2-[(2,5-dimethylpyrazol-3-yl)-phenylmethoxy]-N,N-dimethylethanamine?
2-[(2,5-dimethylpyrazol-3-yl)-phenylmethoxy]-N,N-dimethylethanamine has a molecular weight of 273.38 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylpyrazol-3-yl)-phenylmethoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 11687687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).