3-ethyl-1-methyl-5-(2-methylbutan-2-yloxy)pyrazol-4-amine

C11H21N3O — CID 66016455

IUPAC3-ethyl-1-methyl-5-(2-methylbutan-2-yloxy)pyrazol-4-amine
SMILESCCc1nn(C)c(OC(C)(C)CC)c1N
InChIInChI=1S/C11H21N3O/c1-6-8-9(12)10(14(5)13-8)15-11(3,4)7-2/h6-7,12H2,1-5H3
InChIKeyXJLGLBSXQYMNSW-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.13
Rot. Bonds4

About 3-ethyl-1-methyl-5-(2-methylbutan-2-yloxy)pyrazol-4-amine

3-ethyl-1-methyl-5-(2-methylbutan-2-yloxy)pyrazol-4-amine (PubChem CID 66016455) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-ethyl-1-methyl-5-(2-methylbutan-2-yloxy)pyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-5-(2-methylbutan-2-yloxy)pyrazol-4-amine
PubChem CID66016455
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-ethyl-1-methyl-5-(2-methylbutan-2-yloxy)pyrazol-4-amine
SMILESCCc1nn(C)c(OC(C)(C)CC)c1N
InChIInChI=1S/C11H21N3O/c1-6-8-9(12)10(14(5)13-8)15-11(3,4)7-2/h6-7,12H2,1-5H3
InChIKeyXJLGLBSXQYMNSW-UHFFFAOYSA-N
XLogP2.13
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-5-(2-methylbutan-2-yloxy)pyrazol-4-amine?
The IUPAC name of 3-ethyl-1-methyl-5-(2-methylbutan-2-yloxy)pyrazol-4-amine (CID 66016455) is 3-ethyl-1-methyl-5-(2-methylbutan-2-yloxy)pyrazol-4-amine.
What is the SMILES notation for 3-ethyl-1-methyl-5-(2-methylbutan-2-yloxy)pyrazol-4-amine?
The canonical SMILES for 3-ethyl-1-methyl-5-(2-methylbutan-2-yloxy)pyrazol-4-amine is CCc1nn(C)c(OC(C)(C)CC)c1N.
What is the InChIKey of 3-ethyl-1-methyl-5-(2-methylbutan-2-yloxy)pyrazol-4-amine?
The InChIKey is XJLGLBSXQYMNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-6-8-9(12)10(14(5)13-8)15-11(3,4)7-2/h6-7,12H2,1-5H3.
What are the key properties of 3-ethyl-1-methyl-5-(2-methylbutan-2-yloxy)pyrazol-4-amine?
3-ethyl-1-methyl-5-(2-methylbutan-2-yloxy)pyrazol-4-amine has a molecular weight of 211.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-5-(2-methylbutan-2-yloxy)pyrazol-4-amine is sourced from PubChem (CID 66016455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).