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

C12H12FN3O3 — CID 117416685

IUPAC4-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine
SMILESCOc1c(F)cc2c(c1-c1cnn(C)c1N)OCO2
InChIInChI=1S/C12H12FN3O3/c1-16-12(14)6(4-15-16)9-10(17-2)7(13)3-8-11(9)19-5-18-8/h3-4H,5,14H2,1-2H3
InChIKeySOZUIFNTAKROSH-UHFFFAOYSA-N
MW265.24 g/mol
LogP1.55
Rot. Bonds2

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

4-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine (PubChem CID 117416685) has the molecular formula C12H12FN3O3 and a molecular weight of 265.24 g/mol. Its IUPAC name is 4-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine
PubChem CID117416685
Molecular FormulaC12H12FN3O3
Molecular Weight265.24 g/mol
Exact Mass265.09
IUPAC Name4-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine
SMILESCOc1c(F)cc2c(c1-c1cnn(C)c1N)OCO2
InChIInChI=1S/C12H12FN3O3/c1-16-12(14)6(4-15-16)9-10(17-2)7(13)3-8-11(9)19-5-18-8/h3-4H,5,14H2,1-2H3
InChIKeySOZUIFNTAKROSH-UHFFFAOYSA-N
XLogP1.55
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-amino-1-methylpyrazol-4-yl)-4,6-difluoro-3-methoxyphenol
CID 117390500
4-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine
CID 117499160
4-(4,6-difluoro-2,3-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117426013
4-(6-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine
CID 117369926
4-(3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine
CID 117342062
4-(6-chloro-4-methyl-1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine
CID 117418429
4-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-amine
CID 117416678
4-(3,4-difluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350188
4-(5-ethyl-3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117375989
4-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-methylpyrazol-5-amine
CID 117412217
4-(1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine
CID 117309116
4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine;hydrobromide
CID 117486227

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine (CID 117416685) is 4-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine is COc1c(F)cc2c(c1-c1cnn(C)c1N)OCO2.
What is the InChIKey of 4-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine?
The InChIKey is SOZUIFNTAKROSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3/c1-16-12(14)6(4-15-16)9-10(17-2)7(13)3-8-11(9)19-5-18-8/h3-4H,5,14H2,1-2H3.
What are the key properties of 4-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine?
4-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine has a molecular weight of 265.24 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117416685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).