5-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-2-(methoxymethyl)pentan-2-ol

C13H25N3O2 — CID 103391462

IUPAC5-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-2-(methoxymethyl)pentan-2-ol
SMILESCCn1nc(C)cc1CC(O)(CCCN)COC
InChIInChI=1S/C13H25N3O2/c1-4-16-12(8-11(2)15-16)9-13(17,10-18-3)6-5-7-14/h8,17H,4-7,9-10,14H2,1-3H3
InChIKeyWZICRCBZUGVAIG-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.87
Rot. Bonds8

About 5-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-2-(methoxymethyl)pentan-2-ol

5-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-2-(methoxymethyl)pentan-2-ol (PubChem CID 103391462) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 5-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-2-(methoxymethyl)pentan-2-ol.

Molecular Properties

Compound Name5-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-2-(methoxymethyl)pentan-2-ol
PubChem CID103391462
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name5-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-2-(methoxymethyl)pentan-2-ol
SMILESCCn1nc(C)cc1CC(O)(CCCN)COC
InChIInChI=1S/C13H25N3O2/c1-4-16-12(8-11(2)15-16)9-13(17,10-18-3)6-5-7-14/h8,17H,4-7,9-10,14H2,1-3H3
InChIKeyWZICRCBZUGVAIG-UHFFFAOYSA-N
XLogP0.87
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-2-(methoxymethyl)pentan-2-ol?
The IUPAC name of 5-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-2-(methoxymethyl)pentan-2-ol (CID 103391462) is 5-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-2-(methoxymethyl)pentan-2-ol.
What is the SMILES notation for 5-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-2-(methoxymethyl)pentan-2-ol?
The canonical SMILES for 5-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-2-(methoxymethyl)pentan-2-ol is CCn1nc(C)cc1CC(O)(CCCN)COC.
What is the InChIKey of 5-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-2-(methoxymethyl)pentan-2-ol?
The InChIKey is WZICRCBZUGVAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-16-12(8-11(2)15-16)9-13(17,10-18-3)6-5-7-14/h8,17H,4-7,9-10,14H2,1-3H3.
What are the key properties of 5-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-2-(methoxymethyl)pentan-2-ol?
5-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-2-(methoxymethyl)pentan-2-ol has a molecular weight of 255.36 g/mol, XLogP of 0.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-2-(methoxymethyl)pentan-2-ol is sourced from PubChem (CID 103391462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).