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

C15H21N3O3 — CID 5309707

IUPAC5-(3,4,5-triethoxyphenyl)-1H-pyrazol-3-amine
SMILESCCOc1cc(-c2cc(N)n[nH]2)cc(OCC)c1OCC
InChIInChI=1S/C15H21N3O3/c1-4-19-12-7-10(11-9-14(16)18-17-11)8-13(20-5-2)15(12)21-6-3/h7-9H,4-6H2,1-3H3,(H3,16,17,18)
InChIKeyBASJBGOOUUFHMT-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.86
Rot. Bonds7

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

5-(3,4,5-triethoxyphenyl)-1H-pyrazol-3-amine (PubChem CID 5309707) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-(3,4,5-triethoxyphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3,4,5-triethoxyphenyl)-1H-pyrazol-3-amine
PubChem CID5309707
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name5-(3,4,5-triethoxyphenyl)-1H-pyrazol-3-amine
SMILESCCOc1cc(-c2cc(N)n[nH]2)cc(OCC)c1OCC
InChIInChI=1S/C15H21N3O3/c1-4-19-12-7-10(11-9-14(16)18-17-11)8-13(20-5-2)15(12)21-6-3/h7-9H,4-6H2,1-3H3,(H3,16,17,18)
InChIKeyBASJBGOOUUFHMT-UHFFFAOYSA-N
XLogP2.86
TPSA82.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4,5-triethoxyphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3,4,5-triethoxyphenyl)-1H-pyrazol-3-amine (CID 5309707) is 5-(3,4,5-triethoxyphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3,4,5-triethoxyphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3,4,5-triethoxyphenyl)-1H-pyrazol-3-amine is CCOc1cc(-c2cc(N)n[nH]2)cc(OCC)c1OCC.
What is the InChIKey of 5-(3,4,5-triethoxyphenyl)-1H-pyrazol-3-amine?
The InChIKey is BASJBGOOUUFHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-4-19-12-7-10(11-9-14(16)18-17-11)8-13(20-5-2)15(12)21-6-3/h7-9H,4-6H2,1-3H3,(H3,16,17,18).
What are the key properties of 5-(3,4,5-triethoxyphenyl)-1H-pyrazol-3-amine?
5-(3,4,5-triethoxyphenyl)-1H-pyrazol-3-amine has a molecular weight of 291.35 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4,5-triethoxyphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 5309707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).