4-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine

C11H10FN3O3 — CID 117380453

IUPAC4-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine
SMILESCOc1cc2c(c(-c3cn[nH]c3N)c1F)OCO2
InChIInChI=1S/C11H10FN3O3/c1-16-6-2-7-10(18-4-17-7)8(9(6)12)5-3-14-15-11(5)13/h2-3H,4H2,1H3,(H3,13,14,15)
InChIKeyUENMOILJPKKMGX-UHFFFAOYSA-N
MW251.22 g/mol
LogP1.54
Rot. Bonds2

About 4-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine

4-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine (PubChem CID 117380453) has the molecular formula C11H10FN3O3 and a molecular weight of 251.22 g/mol. Its IUPAC name is 4-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine
PubChem CID117380453
Molecular FormulaC11H10FN3O3
Molecular Weight251.22 g/mol
Exact Mass251.07
IUPAC Name4-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine
SMILESCOc1cc2c(c(-c3cn[nH]c3N)c1F)OCO2
InChIInChI=1S/C11H10FN3O3/c1-16-6-2-7-10(18-4-17-7)8(9(6)12)5-3-14-15-11(5)13/h2-3H,4H2,1H3,(H3,13,14,15)
InChIKeyUENMOILJPKKMGX-UHFFFAOYSA-N
XLogP1.54
TPSA82.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-amino-1H-pyrazol-4-yl)-4-fluoro-5-methoxybenzene-1,2-diol
CID 117350062
4-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-amine
CID 117416678
4-(4-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine
CID 117337608
4-(2-fluoro-3,5-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117346174
4-(6-chloro-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine
CID 117347951
4-(2,3,5-trifluoro-6-methoxyphenyl)-1H-pyrazol-5-amine
CID 117359088
2-(5-amino-1H-pyrazol-4-yl)-6-bromo-3,4-dimethoxyphenol
CID 117499099
4-(2-fluoro-3-methoxyphenyl)-1H-pyrazol-5-amine
CID 117295549
4-(4-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine
CID 117295551
(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)methanol
CID 117289027
4-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine
CID 117416685
2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3,4-dimethylphenol
CID 117338166

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine (CID 117380453) is 4-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine is COc1cc2c(c(-c3cn[nH]c3N)c1F)OCO2.
What is the InChIKey of 4-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine?
The InChIKey is UENMOILJPKKMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O3/c1-16-6-2-7-10(18-4-17-7)8(9(6)12)5-3-14-15-11(5)13/h2-3H,4H2,1H3,(H3,13,14,15).
What are the key properties of 4-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine?
4-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine has a molecular weight of 251.22 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117380453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).