1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-methylpyrazol-4-amine

C10H17N3O2 — CID 69281653

IUPAC1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-methylpyrazol-4-amine
SMILESCc1c(N)cnn1C1COC(C)(C)OC1
InChIInChI=1S/C10H17N3O2/c1-7-9(11)4-12-13(7)8-5-14-10(2,3)15-6-8/h4,8H,5-6,11H2,1-3H3
InChIKeyWQWSERSAPGWRKN-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.10
Rot. Bonds1

About 1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-methylpyrazol-4-amine

1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-methylpyrazol-4-amine (PubChem CID 69281653) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-methylpyrazol-4-amine
PubChem CID69281653
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-methylpyrazol-4-amine
SMILESCc1c(N)cnn1C1COC(C)(C)OC1
InChIInChI=1S/C10H17N3O2/c1-7-9(11)4-12-13(7)8-5-14-10(2,3)15-6-8/h4,8H,5-6,11H2,1-3H3
InChIKeyWQWSERSAPGWRKN-UHFFFAOYSA-N
XLogP1.10
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-methylpyrazol-4-amine?
The IUPAC name of 1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-methylpyrazol-4-amine (CID 69281653) is 1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-methylpyrazol-4-amine.
What is the SMILES notation for 1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-methylpyrazol-4-amine?
The canonical SMILES for 1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-methylpyrazol-4-amine is Cc1c(N)cnn1C1COC(C)(C)OC1.
What is the InChIKey of 1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-methylpyrazol-4-amine?
The InChIKey is WQWSERSAPGWRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7-9(11)4-12-13(7)8-5-14-10(2,3)15-6-8/h4,8H,5-6,11H2,1-3H3.
What are the key properties of 1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-methylpyrazol-4-amine?
1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-methylpyrazol-4-amine has a molecular weight of 211.26 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-1,3-dioxan-5-yl)-5-methylpyrazol-4-amine is sourced from PubChem (CID 69281653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).