5-(2,4-dimethoxyphenyl)-1H-pyrazol-3-amine

C11H13N3O2 — CID 3772691

IUPAC5-(2,4-dimethoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1ccc(-c2cc(N)n[nH]2)c(OC)c1
InChIInChI=1S/C11H13N3O2/c1-15-7-3-4-8(10(5-7)16-2)9-6-11(12)14-13-9/h3-6H,1-2H3,(H3,12,13,14)
InChIKeyGKDOSTMBUQLZNV-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.68
Rot. Bonds3

About 5-(2,4-dimethoxyphenyl)-1H-pyrazol-3-amine

5-(2,4-dimethoxyphenyl)-1H-pyrazol-3-amine (PubChem CID 3772691) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2,4-dimethoxyphenyl)-1H-pyrazol-3-amine
PubChem CID3772691
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name5-(2,4-dimethoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1ccc(-c2cc(N)n[nH]2)c(OC)c1
InChIInChI=1S/C11H13N3O2/c1-15-7-3-4-8(10(5-7)16-2)9-6-11(12)14-13-9/h3-6H,1-2H3,(H3,12,13,14)
InChIKeyGKDOSTMBUQLZNV-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-(2,4-dimethoxyphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2,4-dimethoxyphenyl)-1H-pyrazol-3-amine (CID 3772691) is 5-(2,4-dimethoxyphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2,4-dimethoxyphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2,4-dimethoxyphenyl)-1H-pyrazol-3-amine is COc1ccc(-c2cc(N)n[nH]2)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyphenyl)-1H-pyrazol-3-amine?
The InChIKey is GKDOSTMBUQLZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-15-7-3-4-8(10(5-7)16-2)9-6-11(12)14-13-9/h3-6H,1-2H3,(H3,12,13,14).
What are the key properties of 5-(2,4-dimethoxyphenyl)-1H-pyrazol-3-amine?
5-(2,4-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-(2,4-dimethoxyphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 3772691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).