5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-amine

C11H13N3O2 — CID 18526074

IUPAC5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1cc(OC)cc(-c2cc(N)n[nH]2)c1
InChIInChI=1S/C11H13N3O2/c1-15-8-3-7(4-9(5-8)16-2)10-6-11(12)14-13-10/h3-6H,1-2H3,(H3,12,13,14)
InChIKeyHXHHGVVGHUJKMH-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.68
Rot. Bonds3

About 5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-amine

5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-amine (PubChem CID 18526074) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-amine
PubChem CID18526074
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1cc(OC)cc(-c2cc(N)n[nH]2)c1
InChIInChI=1S/C11H13N3O2/c1-15-8-3-7(4-9(5-8)16-2)10-6-11(12)14-13-10/h3-6H,1-2H3,(H3,12,13,14)
InChIKeyHXHHGVVGHUJKMH-UHFFFAOYSA-N
XLogP1.68
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-amine (CID 18526074) is 5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-amine is COc1cc(OC)cc(-c2cc(N)n[nH]2)c1.
What is the InChIKey of 5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-amine?
The InChIKey is HXHHGVVGHUJKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-15-8-3-7(4-9(5-8)16-2)10-6-11(12)14-13-10/h3-6H,1-2H3,(H3,12,13,14).
What are the key properties of 5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-amine?
5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-amine has a molecular weight of 219.24 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 18526074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).