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

C19H21N3O4 — CID 46183322

IUPAC4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1ccc(-c2c(N)n[nH]c2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H21N3O4/c1-23-13-7-5-11(6-8-13)16-17(21-22-19(16)20)12-9-14(24-2)18(26-4)15(10-12)25-3/h5-10H,1-4H3,(H3,20,21,22)
InChIKeySITNEARYBVAYKV-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.36
Rot. Bonds6

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

4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine (PubChem CID 46183322) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine
PubChem CID46183322
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1ccc(-c2c(N)n[nH]c2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H21N3O4/c1-23-13-7-5-11(6-8-13)16-17(21-22-19(16)20)12-9-14(24-2)18(26-4)15(10-12)25-3/h5-10H,1-4H3,(H3,20,21,22)
InChIKeySITNEARYBVAYKV-UHFFFAOYSA-N
XLogP3.36
TPSA91.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine (CID 46183322) is 4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine is COc1ccc(-c2c(N)n[nH]c2-c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine?
The InChIKey is SITNEARYBVAYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-23-13-7-5-11(6-8-13)16-17(21-22-19(16)20)12-9-14(24-2)18(26-4)15(10-12)25-3/h5-10H,1-4H3,(H3,20,21,22).
What are the key properties of 4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine?
4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine has a molecular weight of 355.39 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 46183322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).