4-(7-methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1H-pyrazol-3-amine

C18H17N3O4 — CID 51138521

IUPAC4-(7-methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1ccc(-c2[nH]nc(N)c2-c2cc(OC)c3c(c2)OCO3)cc1
InChIInChI=1S/C18H17N3O4/c1-22-12-5-3-10(4-6-12)16-15(18(19)21-20-16)11-7-13(23-2)17-14(8-11)24-9-25-17/h3-8H,9H2,1-2H3,(H3,19,20,21)
InChIKeyGIOSRJQJUKBUHY-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.07
Rot. Bonds4

About 4-(7-methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1H-pyrazol-3-amine

4-(7-methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1H-pyrazol-3-amine (PubChem CID 51138521) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 4-(7-methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(7-methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1H-pyrazol-3-amine
PubChem CID51138521
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name4-(7-methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1ccc(-c2[nH]nc(N)c2-c2cc(OC)c3c(c2)OCO3)cc1
InChIInChI=1S/C18H17N3O4/c1-22-12-5-3-10(4-6-12)16-15(18(19)21-20-16)11-7-13(23-2)17-14(8-11)24-9-25-17/h3-8H,9H2,1-2H3,(H3,19,20,21)
InChIKeyGIOSRJQJUKBUHY-UHFFFAOYSA-N
XLogP3.07
TPSA91.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

XN-0502
CID 46183322
4-(3,4-dimethoxyphenyl)-3-methyl-1H-pyrazol-5-amine
CID 680670
5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 91973276
4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 91973278
4-(7-methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1H-1,2,3-triazole
CID 73334659
7-methoxy-1-(3,4,5-trimethoxyphenyl)-4,5-dihydro-3H-benzo[e]indazole
CID 141477178
5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine
CID 53329390
5-(3,4,5-triethoxyphenyl)-1H-pyrazol-3-amine
CID 5309707
5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 11209992
3-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1H-pyrazol-5-amine
CID 51138383
3-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenyl)-1H-pyrazol-5-amine
CID 72193490
5-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 11710445

Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(7-methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1H-pyrazol-3-amine (CID 51138521) is 4-(7-methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(7-methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(7-methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1H-pyrazol-3-amine is COc1ccc(-c2[nH]nc(N)c2-c2cc(OC)c3c(c2)OCO3)cc1.
What is the InChIKey of 4-(7-methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1H-pyrazol-3-amine?
The InChIKey is GIOSRJQJUKBUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-22-12-5-3-10(4-6-12)16-15(18(19)21-20-16)11-7-13(23-2)17-14(8-11)24-9-25-17/h3-8H,9H2,1-2H3,(H3,19,20,21).
What are the key properties of 4-(7-methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1H-pyrazol-3-amine?
4-(7-methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1H-pyrazol-3-amine has a molecular weight of 339.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 51138521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).