5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-amine

C13H17N3O2 — CID 47002409

IUPAC5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-amine
SMILESCOc1cc(CCc2cc(N)n[nH]2)cc(OC)c1
InChIInChI=1S/C13H17N3O2/c1-17-11-5-9(6-12(8-11)18-2)3-4-10-7-13(14)16-15-10/h5-8H,3-4H2,1-2H3,(H3,14,15,16)
InChIKeyQKEFSZDRDPDTTE-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.79
Rot. Bonds5

About 5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-amine

5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-amine (PubChem CID 47002409) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-amine
PubChem CID47002409
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-amine
SMILESCOc1cc(CCc2cc(N)n[nH]2)cc(OC)c1
InChIInChI=1S/C13H17N3O2/c1-17-11-5-9(6-12(8-11)18-2)3-4-10-7-13(14)16-15-10/h5-8H,3-4H2,1-2H3,(H3,14,15,16)
InChIKeyQKEFSZDRDPDTTE-UHFFFAOYSA-N
XLogP1.79
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-amine (CID 47002409) is 5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-amine is COc1cc(CCc2cc(N)n[nH]2)cc(OC)c1.
What is the InChIKey of 5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-amine?
The InChIKey is QKEFSZDRDPDTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-17-11-5-9(6-12(8-11)18-2)3-4-10-7-13(14)16-15-10/h5-8H,3-4H2,1-2H3,(H3,14,15,16).
What are the key properties of 5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-amine?
5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-amine has a molecular weight of 247.30 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 47002409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).