3-(1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine

C11H11N3O2 — CID 43158870

IUPAC3-(1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccc3c(c2)OCO3)cc1N
InChIInChI=1S/C11H11N3O2/c1-14-11(12)5-8(13-14)7-2-3-9-10(4-7)16-6-15-9/h2-5H,6,12H2,1H3
InChIKeyAHTNDUQVQKCVGH-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.40
Rot. Bonds1

About 3-(1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine

3-(1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine (PubChem CID 43158870) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine
PubChem CID43158870
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name3-(1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccc3c(c2)OCO3)cc1N
InChIInChI=1S/C11H11N3O2/c1-14-11(12)5-8(13-14)7-2-3-9-10(4-7)16-6-15-9/h2-5H,6,12H2,1H3
InChIKeyAHTNDUQVQKCVGH-UHFFFAOYSA-N
XLogP1.40
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-dihydro-2-benzofuran-5-yl)-1-methylpyrazol-5-amine
CID 63744696
1-methyl-3-(4-methyl-1,3-benzodioxol-5-yl)pyrazol-5-amine
CID 117334125
3-(4-chloro-1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine
CID 117382468
3-(1,3-benzodioxol-5-yl)-1,2-thiazol-5-amine
CID 83910432
3-[4-chloro-3-(dimethylamino)phenyl]-1-methylpyrazol-5-amine
CID 115111978
6-(1,3-benzodioxol-5-yl)pyridin-3-amine
CID 82394049
2-(1,3-benzodioxol-5-yl)-4-methylpyridine
CID 175812188
3-[6-(1,1-difluoroethyl)-1,3-benzodioxol-5-yl]-1-methylpyrazol-5-amine
CID 117451239
2-[5-(1,3-benzodioxol-5-yl)-1-methylpyrazol-3-yl]ethanamine
CID 82478930
4-(1,3-benzodioxol-5-yl)-N-methyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
CID 131908551
6-(1,3-benzodioxol-5-yl)-2-[2-(diethylamino)ethyl]pyridazin-3-one
CID 7664039
5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
CID 19616634

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine (CID 43158870) is 3-(1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine is Cn1nc(-c2ccc3c(c2)OCO3)cc1N.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine?
The InChIKey is AHTNDUQVQKCVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-14-11(12)5-8(13-14)7-2-3-9-10(4-7)16-6-15-9/h2-5H,6,12H2,1H3.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine?
3-(1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine has a molecular weight of 217.23 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 43158870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).