3-(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-5-amine

C14H16ClN3O2 — CID 117473933

IUPAC3-(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-5-amine
SMILESCCc1c(-c2cc(N)n(C)n2)cc(Cl)c2c1OCCO2
InChIInChI=1S/C14H16ClN3O2/c1-3-8-9(11-7-12(16)18(2)17-11)6-10(15)14-13(8)19-4-5-20-14/h6-7H,3-5,16H2,1-2H3
InChIKeyCKWGOSRNYLYMGQ-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.66
Rot. Bonds2

About 3-(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-5-amine

3-(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-5-amine (PubChem CID 117473933) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 3-(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-5-amine
PubChem CID117473933
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name3-(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-5-amine
SMILESCCc1c(-c2cc(N)n(C)n2)cc(Cl)c2c1OCCO2
InChIInChI=1S/C14H16ClN3O2/c1-3-8-9(11-7-12(16)18(2)17-11)6-10(15)14-13(8)19-4-5-20-14/h6-7H,3-5,16H2,1-2H3
InChIKeyCKWGOSRNYLYMGQ-UHFFFAOYSA-N
XLogP2.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-5-amine with MolForge

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Related Compounds

3-(9-chloro-6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazol-5-amine
CID 117475313
3-(6-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrazol-5-amine
CID 117418476
3-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117418522
7-(5-amino-1-methylpyrazol-3-yl)-5-fluoro-2,3-dihydro-1,4-benzodioxin-6-ol
CID 137004842
3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-5-amine
CID 117375469
3-(5-chloro-2-ethyl-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117418518
4-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine
CID 117418417
1-methyl-3-[5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]pyrazol-5-amine
CID 117482129
3-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-methylpyrazol-5-amine
CID 117375477
1-methyl-3-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-5-amine
CID 117444365
3-(4-chloro-1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine
CID 117382468
3-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117476516

Frequently Asked Questions

What is the IUPAC name of 3-(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-5-amine (CID 117473933) is 3-(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-5-amine is CCc1c(-c2cc(N)n(C)n2)cc(Cl)c2c1OCCO2.
What is the InChIKey of 3-(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-5-amine?
The InChIKey is CKWGOSRNYLYMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-3-8-9(11-7-12(16)18(2)17-11)6-10(15)14-13(8)19-4-5-20-14/h6-7H,3-5,16H2,1-2H3.
What are the key properties of 3-(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-5-amine?
3-(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-5-amine has a molecular weight of 293.75 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117473933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).