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

C11H11N3O3 — CID 117337608

IUPAC4-(4-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine
SMILESCOc1c(-c2cn[nH]c2N)ccc2c1OCO2
InChIInChI=1S/C11H11N3O3/c1-15-9-6(7-4-13-14-11(7)12)2-3-8-10(9)17-5-16-8/h2-4H,5H2,1H3,(H3,12,13,14)
InChIKeyKGUHWFLOZJPEMJ-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.40
Rot. Bonds2

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

4-(4-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine (PubChem CID 117337608) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 4-(4-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(4-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine
PubChem CID117337608
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name4-(4-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine
SMILESCOc1c(-c2cn[nH]c2N)ccc2c1OCO2
InChIInChI=1S/C11H11N3O3/c1-15-9-6(7-4-13-14-11(7)12)2-3-8-10(9)17-5-16-8/h2-4H,5H2,1H3,(H3,12,13,14)
InChIKeyKGUHWFLOZJPEMJ-UHFFFAOYSA-N
XLogP1.40
TPSA82.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-amino-1H-pyrazol-4-yl)-1,3-benzodioxol-4-ol
CID 117311798
4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine
CID 117451305
4-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine
CID 117380453
6-(5-amino-1H-pyrazol-4-yl)-2-methoxy-3-methylphenol
CID 117312168
4-(6-chloro-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine
CID 117347951
(4-methoxy-1,3-benzodioxol-5-yl)methanamine
CID 21294011
4-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-amine
CID 117416678
2-(4-methoxy-1,3-benzodioxol-5-yl)ethanamine
CID 11127161
4-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine
CID 117418417
4-(6-bromo-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-amine
CID 117476939
4-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrazol-5-amine
CID 117487266
1-(4-methoxy-1,3-benzodioxol-5-yl)-2-methylpropan-2-amine
CID 117319983

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(4-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine (CID 117337608) is 4-(4-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(4-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(4-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine is COc1c(-c2cn[nH]c2N)ccc2c1OCO2.
What is the InChIKey of 4-(4-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine?
The InChIKey is KGUHWFLOZJPEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-15-9-6(7-4-13-14-11(7)12)2-3-8-10(9)17-5-16-8/h2-4H,5H2,1H3,(H3,12,13,14).
What are the key properties of 4-(4-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine?
4-(4-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine has a molecular weight of 233.23 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117337608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).