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

C12H15N3O3 — CID 970677

IUPAC4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-amine
SMILESCOc1cc(-c2cn[nH]c2N)cc(OC)c1OC
InChIInChI=1S/C12H15N3O3/c1-16-9-4-7(8-6-14-15-12(8)13)5-10(17-2)11(9)18-3/h4-6H,1-3H3,(H3,13,14,15)
InChIKeyDYGFJYIWPGCIEE-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.68
Rot. Bonds4

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

4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-amine (PubChem CID 970677) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-amine
PubChem CID970677
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-amine
SMILESCOc1cc(-c2cn[nH]c2N)cc(OC)c1OC
InChIInChI=1S/C12H15N3O3/c1-16-9-4-7(8-6-14-15-12(8)13)5-10(17-2)11(9)18-3/h4-6H,1-3H3,(H3,13,14,15)
InChIKeyDYGFJYIWPGCIEE-UHFFFAOYSA-N
XLogP1.68
TPSA82.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-amine (CID 970677) is 4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-amine is COc1cc(-c2cn[nH]c2N)cc(OC)c1OC.
What is the InChIKey of 4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-amine?
The InChIKey is DYGFJYIWPGCIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-16-9-4-7(8-6-14-15-12(8)13)5-10(17-2)11(9)18-3/h4-6H,1-3H3,(H3,13,14,15).
What are the key properties of 4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-amine?
4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-amine has a molecular weight of 249.27 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 970677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).