3-ethyl-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazol-5-amine

C12H23N3O — CID 115927867

IUPAC3-ethyl-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazol-5-amine
SMILESCCc1cc(NC(COC)C(C)C)n(C)n1
InChIInChI=1S/C12H23N3O/c1-6-10-7-12(15(4)14-10)13-11(8-16-5)9(2)3/h7,9,11,13H,6,8H2,1-5H3
InChIKeyQBDGKBPUISROAM-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.07
Rot. Bonds6

About 3-ethyl-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazol-5-amine

3-ethyl-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazol-5-amine (PubChem CID 115927867) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-ethyl-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazol-5-amine
PubChem CID115927867
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-ethyl-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazol-5-amine
SMILESCCc1cc(NC(COC)C(C)C)n(C)n1
InChIInChI=1S/C12H23N3O/c1-6-10-7-12(15(4)14-10)13-11(8-16-5)9(2)3/h7,9,11,13H,6,8H2,1-5H3
InChIKeyQBDGKBPUISROAM-UHFFFAOYSA-N
XLogP2.07
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-ethyl-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazol-5-amine (CID 115927867) is 3-ethyl-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-ethyl-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-ethyl-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazol-5-amine is CCc1cc(NC(COC)C(C)C)n(C)n1.
What is the InChIKey of 3-ethyl-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazol-5-amine?
The InChIKey is QBDGKBPUISROAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-6-10-7-12(15(4)14-10)13-11(8-16-5)9(2)3/h7,9,11,13H,6,8H2,1-5H3.
What are the key properties of 3-ethyl-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazol-5-amine?
3-ethyl-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazol-5-amine has a molecular weight of 225.34 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 115927867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).