2-[1-(3,4-dimethoxyphenyl)ethyl]pyrazol-3-amine

C13H17N3O2 — CID 3154159

IUPAC2-[1-(3,4-dimethoxyphenyl)ethyl]pyrazol-3-amine
SMILESCOc1ccc(C(C)n2nccc2N)cc1OC
InChIInChI=1S/C13H17N3O2/c1-9(16-13(14)6-7-15-16)10-4-5-11(17-2)12(8-10)18-3/h4-9H,14H2,1-3H3
InChIKeyIXEBHRLINODWNZ-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.09
Rot. Bonds4

About 2-[1-(3,4-dimethoxyphenyl)ethyl]pyrazol-3-amine

2-[1-(3,4-dimethoxyphenyl)ethyl]pyrazol-3-amine (PubChem CID 3154159) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[1-(3,4-dimethoxyphenyl)ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-[1-(3,4-dimethoxyphenyl)ethyl]pyrazol-3-amine
PubChem CID3154159
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-[1-(3,4-dimethoxyphenyl)ethyl]pyrazol-3-amine
SMILESCOc1ccc(C(C)n2nccc2N)cc1OC
InChIInChI=1S/C13H17N3O2/c1-9(16-13(14)6-7-15-16)10-4-5-11(17-2)12(8-10)18-3/h4-9H,14H2,1-3H3
InChIKeyIXEBHRLINODWNZ-UHFFFAOYSA-N
XLogP2.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)pyrazol-3-amine
CID 83690319
2-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrazol-3-amine
CID 43121456
1,2-dimethoxy-4-(3-methylbutan-2-yl)benzene
CID 23378350
1-[1-(3,4-dimethoxyphenyl)ethyl]piperidin-4-one
CID 82024193
1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazine
CID 28798624
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine;hydrochloride
CID 52983573
1-(3,4-dimethoxyphenyl)-5-methylhexan-1-amine
CID 83162187
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
1-(3,4-dimethoxyphenyl)-2-imidazol-1-ylethanamine
CID 16641649
1,2,2-tris(3,4-dimethoxyphenyl)ethanamine
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CID 28973213

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethoxyphenyl)ethyl]pyrazol-3-amine?
The IUPAC name of 2-[1-(3,4-dimethoxyphenyl)ethyl]pyrazol-3-amine (CID 3154159) is 2-[1-(3,4-dimethoxyphenyl)ethyl]pyrazol-3-amine.
What is the SMILES notation for 2-[1-(3,4-dimethoxyphenyl)ethyl]pyrazol-3-amine?
The canonical SMILES for 2-[1-(3,4-dimethoxyphenyl)ethyl]pyrazol-3-amine is COc1ccc(C(C)n2nccc2N)cc1OC.
What is the InChIKey of 2-[1-(3,4-dimethoxyphenyl)ethyl]pyrazol-3-amine?
The InChIKey is IXEBHRLINODWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9(16-13(14)6-7-15-16)10-4-5-11(17-2)12(8-10)18-3/h4-9H,14H2,1-3H3.
What are the key properties of 2-[1-(3,4-dimethoxyphenyl)ethyl]pyrazol-3-amine?
2-[1-(3,4-dimethoxyphenyl)ethyl]pyrazol-3-amine has a molecular weight of 247.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethoxyphenyl)ethyl]pyrazol-3-amine is sourced from PubChem (CID 3154159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).