3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-5-amine

C15H17N3O2 — CID 43336723

IUPAC3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-5-amine
SMILESCn1nc(C2CC2)c(-c2ccc3c(c2)OCCO3)c1N
InChIInChI=1S/C15H17N3O2/c1-18-15(16)13(14(17-18)9-2-3-9)10-4-5-11-12(8-10)20-7-6-19-11/h4-5,8-9H,2-3,6-7,16H2,1H3
InChIKeyMSTQGKGVXDEDMH-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.32
Rot. Bonds2

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

3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-5-amine (PubChem CID 43336723) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-5-amine
PubChem CID43336723
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-5-amine
SMILESCn1nc(C2CC2)c(-c2ccc3c(c2)OCCO3)c1N
InChIInChI=1S/C15H17N3O2/c1-18-15(16)13(14(17-18)9-2-3-9)10-4-5-11-12(8-10)20-7-6-19-11/h4-5,8-9H,2-3,6-7,16H2,1H3
InChIKeyMSTQGKGVXDEDMH-UHFFFAOYSA-N
XLogP2.32
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-3-propylpyrazol-5-amine
CID 43336721
3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine
CID 43336233
1-methyl-4-(4-methylphenyl)-3-(oxan-4-yl)pyrazol-5-amine
CID 62907594
4-(3-chlorophenyl)-3-cyclopropyl-1-methylpyrazol-5-amine
CID 43158522
4-(3-methoxyphenyl)-1-methyl-3-(oxan-4-yl)pyrazol-5-amine
CID 62906563
3-cyclobutyl-4-(3-methoxyphenyl)-1-methylpyrazol-5-amine
CID 61263855
4-(1,3-benzodioxol-5-yl)-1-methyl-3-(2-methylbutyl)pyrazol-5-amine
CID 114875014
1-methyl-4-(2-methylphenyl)-3-(oxan-4-yl)pyrazol-5-amine
CID 62905153
1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-3-yl]ethanone
CID 82132469
3-(1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine
CID 43158870
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazole-1,5-diamine
CID 62483187
5-amino-4-(3,4-dihydro-2H-chromen-6-yl)-1-methylpyrazole-3-carboxylic acid
CID 82488713

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-5-amine (CID 43336723) is 3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-5-amine is Cn1nc(C2CC2)c(-c2ccc3c(c2)OCCO3)c1N.
What is the InChIKey of 3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-5-amine?
The InChIKey is MSTQGKGVXDEDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-18-15(16)13(14(17-18)9-2-3-9)10-4-5-11-12(8-10)20-7-6-19-11/h4-5,8-9H,2-3,6-7,16H2,1H3.
What are the key properties of 3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-5-amine?
3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-5-amine has a molecular weight of 271.32 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 43336723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).