1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine

C17H25N3O — CID 102803821

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine
SMILESCCNC(CCc1ccc(OC)cc1)c1cn(C)nc1C
InChIInChI=1S/C17H25N3O/c1-5-18-17(16-12-20(3)19-13(16)2)11-8-14-6-9-15(21-4)10-7-14/h6-7,9-10,12,17-18H,5,8,11H2,1-4H3
InChIKeyDFLQVZNLWPMEFN-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.02
Rot. Bonds7

About 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine

1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine (PubChem CID 102803821) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine
PubChem CID102803821
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine
SMILESCCNC(CCc1ccc(OC)cc1)c1cn(C)nc1C
InChIInChI=1S/C17H25N3O/c1-5-18-17(16-12-20(3)19-13(16)2)11-8-14-6-9-15(21-4)10-7-14/h6-7,9-10,12,17-18H,5,8,11H2,1-4H3
InChIKeyDFLQVZNLWPMEFN-UHFFFAOYSA-N
XLogP3.02
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)propyl]hydrazine
CID 102804965
N-ethyl-3-(4-methoxyphenyl)-1-(2-methylphenyl)propan-1-amine
CID 65444570
1-(1,3-dimethylpyrazol-4-yl)-N-ethylpent-4-yn-1-amine
CID 102803730
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-methylhexan-1-amine
CID 102804358
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-4-methylpent-4-en-1-amine
CID 102804477
N-ethyl-1-(4-methoxy-2-methylphenyl)-3-pyridin-4-ylpropan-1-amine
CID 105115672
N-ethyl-1-(2-fluoro-4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011751
1-(4-chlorophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine
CID 43488978
2-(2,6-dimethylphenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 102804305
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 102803003
2-(3,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 102804672
2-(1,3-dimethylpyrazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 167827972

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine (CID 102803821) is 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine is CCNC(CCc1ccc(OC)cc1)c1cn(C)nc1C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine?
The InChIKey is DFLQVZNLWPMEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-18-17(16-12-20(3)19-13(16)2)11-8-14-6-9-15(21-4)10-7-14/h6-7,9-10,12,17-18H,5,8,11H2,1-4H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine?
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 102803821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).