3-[(1-ethyl-4-methoxypyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylaniline

C16H24N4O — CID 105186646

IUPAC3-[(1-ethyl-4-methoxypyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylaniline
SMILESCCn1ncc(OC)c1C(NC)c1cccc(N(C)C)c1
InChIInChI=1S/C16H24N4O/c1-6-20-16(14(21-5)11-18-20)15(17-2)12-8-7-9-13(10-12)19(3)4/h7-11,15,17H,6H2,1-5H3
InChIKeyGTOSWCFANWFXDR-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.29
Rot. Bonds6

About 3-[(1-ethyl-4-methoxypyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylaniline

3-[(1-ethyl-4-methoxypyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylaniline (PubChem CID 105186646) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 3-[(1-ethyl-4-methoxypyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[(1-ethyl-4-methoxypyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylaniline
PubChem CID105186646
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name3-[(1-ethyl-4-methoxypyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylaniline
SMILESCCn1ncc(OC)c1C(NC)c1cccc(N(C)C)c1
InChIInChI=1S/C16H24N4O/c1-6-20-16(14(21-5)11-18-20)15(17-2)12-8-7-9-13(10-12)19(3)4/h7-11,15,17H,6H2,1-5H3
InChIKeyGTOSWCFANWFXDR-UHFFFAOYSA-N
XLogP2.29
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 114647720
1-(3-bromo-4-chlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 114659732
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluorophenyl)methyl]propan-1-amine
CID 114646323
1-(5-chloro-2-methoxyphenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 105047783
1-(2-bromo-5-methylphenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 105047758
1-(5-bromo-2-chlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 105048031
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-bromophenyl)-N-methylmethanamine
CID 114647377
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 105039950
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(5-methylpyrazin-2-yl)methanamine
CID 105186619
1-(1,5-dimethylpyrazol-4-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 105186620
1-(3-chlorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114647006
1-(1-ethyl-4-methoxypyrazol-5-yl)-1-(3-ethyl-4-pyridinyl)-N-methylmethanamine
CID 114659908

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethyl-4-methoxypyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylaniline?
The IUPAC name of 3-[(1-ethyl-4-methoxypyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylaniline (CID 105186646) is 3-[(1-ethyl-4-methoxypyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[(1-ethyl-4-methoxypyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[(1-ethyl-4-methoxypyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylaniline is CCn1ncc(OC)c1C(NC)c1cccc(N(C)C)c1.
What is the InChIKey of 3-[(1-ethyl-4-methoxypyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylaniline?
The InChIKey is GTOSWCFANWFXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-6-20-16(14(21-5)11-18-20)15(17-2)12-8-7-9-13(10-12)19(3)4/h7-11,15,17H,6H2,1-5H3.
What are the key properties of 3-[(1-ethyl-4-methoxypyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylaniline?
3-[(1-ethyl-4-methoxypyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylaniline has a molecular weight of 288.40 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethyl-4-methoxypyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 105186646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).