4-(3,5-dimethoxyphenyl)-1H-pyrazol-5-amine

C11H13N3O2 — CID 978094

IUPAC4-(3,5-dimethoxyphenyl)-1H-pyrazol-5-amine
SMILESCOc1cc(OC)cc(-c2cn[nH]c2N)c1
InChIInChI=1S/C11H13N3O2/c1-15-8-3-7(4-9(5-8)16-2)10-6-13-14-11(10)12/h3-6H,1-2H3,(H3,12,13,14)
InChIKeyVWVFWTIOFGDRSR-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.68
Rot. Bonds3

About 4-(3,5-dimethoxyphenyl)-1H-pyrazol-5-amine

4-(3,5-dimethoxyphenyl)-1H-pyrazol-5-amine (PubChem CID 978094) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenyl)-1H-pyrazol-5-amine
PubChem CID978094
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name4-(3,5-dimethoxyphenyl)-1H-pyrazol-5-amine
SMILESCOc1cc(OC)cc(-c2cn[nH]c2N)c1
InChIInChI=1S/C11H13N3O2/c1-15-8-3-7(4-9(5-8)16-2)10-6-13-14-11(10)12/h3-6H,1-2H3,(H3,12,13,14)
InChIKeyVWVFWTIOFGDRSR-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 4-(3,5-dimethoxyphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(3,5-dimethoxyphenyl)-1H-pyrazol-5-amine (CID 978094) is 4-(3,5-dimethoxyphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(3,5-dimethoxyphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(3,5-dimethoxyphenyl)-1H-pyrazol-5-amine is COc1cc(OC)cc(-c2cn[nH]c2N)c1.
What is the InChIKey of 4-(3,5-dimethoxyphenyl)-1H-pyrazol-5-amine?
The InChIKey is VWVFWTIOFGDRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-15-8-3-7(4-9(5-8)16-2)10-6-13-14-11(10)12/h3-6H,1-2H3,(H3,12,13,14).
What are the key properties of 4-(3,5-dimethoxyphenyl)-1H-pyrazol-5-amine?
4-(3,5-dimethoxyphenyl)-1H-pyrazol-5-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 4-(3,5-dimethoxyphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 978094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).