N-(2,6-dimethyloxan-4-yl)-1,3-dimethylpyrazol-4-amine

C12H21N3O — CID 104955922

IUPACN-(2,6-dimethyloxan-4-yl)-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)cc1NC1CC(C)OC(C)C1
InChIInChI=1S/C12H21N3O/c1-8-5-11(6-9(2)16-8)13-12-7-15(4)14-10(12)3/h7-9,11,13H,5-6H2,1-4H3
InChIKeyOUNVMZJSWSQBLG-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.10
Rot. Bonds2

About N-(2,6-dimethyloxan-4-yl)-1,3-dimethylpyrazol-4-amine

N-(2,6-dimethyloxan-4-yl)-1,3-dimethylpyrazol-4-amine (PubChem CID 104955922) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(2,6-dimethyloxan-4-yl)-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-(2,6-dimethyloxan-4-yl)-1,3-dimethylpyrazol-4-amine
PubChem CID104955922
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(2,6-dimethyloxan-4-yl)-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)cc1NC1CC(C)OC(C)C1
InChIInChI=1S/C12H21N3O/c1-8-5-11(6-9(2)16-8)13-12-7-15(4)14-10(12)3/h7-9,11,13H,5-6H2,1-4H3
InChIKeyOUNVMZJSWSQBLG-UHFFFAOYSA-N
XLogP2.10
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine
CID 103562440
1,3-dimethyl-N-(oxetan-3-yl)pyrazol-4-amine
CID 102804176
N-(3-cyclopropylcyclohexyl)-1,3-dimethylpyrazol-4-amine
CID 104955790
N-[3-(2-fluorophenyl)cyclobutyl]-1,3-dimethylpyrazol-4-amine
CID 104956005
N-(1,3-dimethylpyrazol-4-yl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 102806371
1,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]pyrazol-4-amine
CID 102804468
1,3-dimethyl-N-[(2-methylcyclopropyl)methyl]pyrazol-4-amine
CID 130708465
1,3-dimethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyrazol-4-amine
CID 104955891
N-(1,3-dimethylpyrazol-4-yl)-4,5-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 102806357
N-(1,3-dimethylpyrazol-4-yl)-1-propylazepan-4-amine
CID 102804462
N-(2,6-dimethyloxan-4-yl)-2-methylpyrazol-3-amine
CID 115908239
1,3-dimethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyrazol-4-amine
CID 104955825

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyloxan-4-yl)-1,3-dimethylpyrazol-4-amine?
The IUPAC name of N-(2,6-dimethyloxan-4-yl)-1,3-dimethylpyrazol-4-amine (CID 104955922) is N-(2,6-dimethyloxan-4-yl)-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for N-(2,6-dimethyloxan-4-yl)-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for N-(2,6-dimethyloxan-4-yl)-1,3-dimethylpyrazol-4-amine is Cc1nn(C)cc1NC1CC(C)OC(C)C1.
What is the InChIKey of N-(2,6-dimethyloxan-4-yl)-1,3-dimethylpyrazol-4-amine?
The InChIKey is OUNVMZJSWSQBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8-5-11(6-9(2)16-8)13-12-7-15(4)14-10(12)3/h7-9,11,13H,5-6H2,1-4H3.
What are the key properties of N-(2,6-dimethyloxan-4-yl)-1,3-dimethylpyrazol-4-amine?
N-(2,6-dimethyloxan-4-yl)-1,3-dimethylpyrazol-4-amine has a molecular weight of 223.32 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyloxan-4-yl)-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 104955922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).