1-(5,8-dioxaspiro[3.4]octan-2-yl)-5-methylpyrazol-4-amine

C10H15N3O2 — CID 118288789

IUPAC1-(5,8-dioxaspiro[3.4]octan-2-yl)-5-methylpyrazol-4-amine
SMILESCc1c(N)cnn1C1CC2(C1)OCCO2
InChIInChI=1S/C10H15N3O2/c1-7-9(11)6-12-13(7)8-4-10(5-8)14-2-3-15-10/h6,8H,2-5,11H2,1H3
InChIKeyVSUGRNXKGSCLOG-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.85
Rot. Bonds1

About 1-(5,8-dioxaspiro[3.4]octan-2-yl)-5-methylpyrazol-4-amine

1-(5,8-dioxaspiro[3.4]octan-2-yl)-5-methylpyrazol-4-amine (PubChem CID 118288789) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-(5,8-dioxaspiro[3.4]octan-2-yl)-5-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-(5,8-dioxaspiro[3.4]octan-2-yl)-5-methylpyrazol-4-amine
PubChem CID118288789
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-(5,8-dioxaspiro[3.4]octan-2-yl)-5-methylpyrazol-4-amine
SMILESCc1c(N)cnn1C1CC2(C1)OCCO2
InChIInChI=1S/C10H15N3O2/c1-7-9(11)6-12-13(7)8-4-10(5-8)14-2-3-15-10/h6,8H,2-5,11H2,1H3
InChIKeyVSUGRNXKGSCLOG-UHFFFAOYSA-N
XLogP0.85
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-amine
CID 69281503
5-methyl-1-(oxolan-3-yl)-1H-pyrazol-4-amine
CID 69281515
3-Methyl-1-(oxan-4-yl)-1H-pyrazol-4-amine
CID 69281508
1-(3-Ethoxycyclobutyl)-3-(trifluoromethyl)pyrazol-4-amine
CID 122638647
1-[3-(Difluoromethoxy)cyclobutyl]-5-methylpyrazol-4-amine
CID 135374385
1-[3-(Difluoromethoxy)cyclobutyl]-3-methylpyrazol-4-amine
CID 135374470
1-(5,8-Dioxaspiro[3.4]octan-2-yl)-4-iodo-3-methylpyrazole
CID 58516073
1-(5,8-dioxaspiro[3.4]oct-2-yl)-4-iodo-5-methyl-1H-pyrazole
CID 58516075
3-Methyl-1-(tetrahydrofuran-3-yl)-1h-pyrazol-4-amine
CID 69281514
5-Methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine
CID 69281648
1-(2,2-Dimethyl-1,3-dioxan-5-yl)-5-methylpyrazol-4-amine
CID 69281653
1-[1-(1,3-Dioxolan-2-ylmethyl)piperidin-4-yl]-5-methylpyrazol-4-amine
CID 90103210

Frequently Asked Questions

What is the IUPAC name of 1-(5,8-dioxaspiro[3.4]octan-2-yl)-5-methylpyrazol-4-amine?
The IUPAC name of 1-(5,8-dioxaspiro[3.4]octan-2-yl)-5-methylpyrazol-4-amine (CID 118288789) is 1-(5,8-dioxaspiro[3.4]octan-2-yl)-5-methylpyrazol-4-amine.
What is the SMILES notation for 1-(5,8-dioxaspiro[3.4]octan-2-yl)-5-methylpyrazol-4-amine?
The canonical SMILES for 1-(5,8-dioxaspiro[3.4]octan-2-yl)-5-methylpyrazol-4-amine is Cc1c(N)cnn1C1CC2(C1)OCCO2.
What is the InChIKey of 1-(5,8-dioxaspiro[3.4]octan-2-yl)-5-methylpyrazol-4-amine?
The InChIKey is VSUGRNXKGSCLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-9(11)6-12-13(7)8-4-10(5-8)14-2-3-15-10/h6,8H,2-5,11H2,1H3.
What are the key properties of 1-(5,8-dioxaspiro[3.4]octan-2-yl)-5-methylpyrazol-4-amine?
1-(5,8-dioxaspiro[3.4]octan-2-yl)-5-methylpyrazol-4-amine has a molecular weight of 209.25 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,8-dioxaspiro[3.4]octan-2-yl)-5-methylpyrazol-4-amine is sourced from PubChem (CID 118288789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).