3-[4-(dimethylamino)-2,5-dimethoxyphenyl]-1-methylpyrazol-5-amine

C14H20N4O2 — CID 117442658

IUPAC3-[4-(dimethylamino)-2,5-dimethoxyphenyl]-1-methylpyrazol-5-amine
SMILESCOc1cc(N(C)C)c(OC)cc1-c1cc(N)n(C)n1
InChIInChI=1S/C14H20N4O2/c1-17(2)11-8-12(19-4)9(6-13(11)20-5)10-7-14(15)18(3)16-10/h6-8H,15H2,1-5H3
InChIKeyZBXKRWMXVVDUCC-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.75
Rot. Bonds4

About 3-[4-(dimethylamino)-2,5-dimethoxyphenyl]-1-methylpyrazol-5-amine

3-[4-(dimethylamino)-2,5-dimethoxyphenyl]-1-methylpyrazol-5-amine (PubChem CID 117442658) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[4-(dimethylamino)-2,5-dimethoxyphenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-[4-(dimethylamino)-2,5-dimethoxyphenyl]-1-methylpyrazol-5-amine
PubChem CID117442658
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-[4-(dimethylamino)-2,5-dimethoxyphenyl]-1-methylpyrazol-5-amine
SMILESCOc1cc(N(C)C)c(OC)cc1-c1cc(N)n(C)n1
InChIInChI=1S/C14H20N4O2/c1-17(2)11-8-12(19-4)9(6-13(11)20-5)10-7-14(15)18(3)16-10/h6-8H,15H2,1-5H3
InChIKeyZBXKRWMXVVDUCC-UHFFFAOYSA-N
XLogP1.75
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)-2,5-dimethoxyphenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 3-[4-(dimethylamino)-2,5-dimethoxyphenyl]-1-methylpyrazol-5-amine (CID 117442658) is 3-[4-(dimethylamino)-2,5-dimethoxyphenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-[4-(dimethylamino)-2,5-dimethoxyphenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 3-[4-(dimethylamino)-2,5-dimethoxyphenyl]-1-methylpyrazol-5-amine is COc1cc(N(C)C)c(OC)cc1-c1cc(N)n(C)n1.
What is the InChIKey of 3-[4-(dimethylamino)-2,5-dimethoxyphenyl]-1-methylpyrazol-5-amine?
The InChIKey is ZBXKRWMXVVDUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-17(2)11-8-12(19-4)9(6-13(11)20-5)10-7-14(15)18(3)16-10/h6-8H,15H2,1-5H3.
What are the key properties of 3-[4-(dimethylamino)-2,5-dimethoxyphenyl]-1-methylpyrazol-5-amine?
3-[4-(dimethylamino)-2,5-dimethoxyphenyl]-1-methylpyrazol-5-amine has a molecular weight of 276.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)-2,5-dimethoxyphenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117442658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).