5-[3-(dimethylamino)-4-methoxyphenyl]-1H-pyrazol-3-amine

C12H16N4O — CID 21263007

IUPAC5-[3-(dimethylamino)-4-methoxyphenyl]-1H-pyrazol-3-amine
SMILESCOc1ccc(-c2cc(N)n[nH]2)cc1N(C)C
InChIInChI=1S/C12H16N4O/c1-16(2)10-6-8(4-5-11(10)17-3)9-7-12(13)15-14-9/h4-7H,1-3H3,(H3,13,14,15)
InChIKeyHFFHBSNUIKKPAH-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.73
Rot. Bonds3

About 5-[3-(dimethylamino)-4-methoxyphenyl]-1H-pyrazol-3-amine

5-[3-(dimethylamino)-4-methoxyphenyl]-1H-pyrazol-3-amine (PubChem CID 21263007) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-[3-(dimethylamino)-4-methoxyphenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[3-(dimethylamino)-4-methoxyphenyl]-1H-pyrazol-3-amine
PubChem CID21263007
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-[3-(dimethylamino)-4-methoxyphenyl]-1H-pyrazol-3-amine
SMILESCOc1ccc(-c2cc(N)n[nH]2)cc1N(C)C
InChIInChI=1S/C12H16N4O/c1-16(2)10-6-8(4-5-11(10)17-3)9-7-12(13)15-14-9/h4-7H,1-3H3,(H3,13,14,15)
InChIKeyHFFHBSNUIKKPAH-UHFFFAOYSA-N
XLogP1.73
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)-4-methoxyphenyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[3-(dimethylamino)-4-methoxyphenyl]-1H-pyrazol-3-amine (CID 21263007) is 5-[3-(dimethylamino)-4-methoxyphenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[3-(dimethylamino)-4-methoxyphenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[3-(dimethylamino)-4-methoxyphenyl]-1H-pyrazol-3-amine is COc1ccc(-c2cc(N)n[nH]2)cc1N(C)C.
What is the InChIKey of 5-[3-(dimethylamino)-4-methoxyphenyl]-1H-pyrazol-3-amine?
The InChIKey is HFFHBSNUIKKPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-16(2)10-6-8(4-5-11(10)17-3)9-7-12(13)15-14-9/h4-7H,1-3H3,(H3,13,14,15).
What are the key properties of 5-[3-(dimethylamino)-4-methoxyphenyl]-1H-pyrazol-3-amine?
5-[3-(dimethylamino)-4-methoxyphenyl]-1H-pyrazol-3-amine has a molecular weight of 232.29 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)-4-methoxyphenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 21263007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).