5-[1-(4-aminopyrazol-1-yl)-2-methylpropan-2-yl]oxy-2-methylpentan-2-ol

C13H25N3O2 — CID 123446358

IUPAC5-[1-(4-aminopyrazol-1-yl)-2-methylpropan-2-yl]oxy-2-methylpentan-2-ol
SMILESCC(C)(O)CCCOC(C)(C)Cn1cc(N)cn1
InChIInChI=1S/C13H25N3O2/c1-12(2,17)6-5-7-18-13(3,4)10-16-9-11(14)8-15-16/h8-9,17H,5-7,10,14H2,1-4H3
InChIKeyJYBVZKXYGYYUHF-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.81
Rot. Bonds7

About 5-[1-(4-aminopyrazol-1-yl)-2-methylpropan-2-yl]oxy-2-methylpentan-2-ol

5-[1-(4-aminopyrazol-1-yl)-2-methylpropan-2-yl]oxy-2-methylpentan-2-ol (PubChem CID 123446358) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 5-[1-(4-aminopyrazol-1-yl)-2-methylpropan-2-yl]oxy-2-methylpentan-2-ol.

Molecular Properties

Compound Name5-[1-(4-aminopyrazol-1-yl)-2-methylpropan-2-yl]oxy-2-methylpentan-2-ol
PubChem CID123446358
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name5-[1-(4-aminopyrazol-1-yl)-2-methylpropan-2-yl]oxy-2-methylpentan-2-ol
SMILESCC(C)(O)CCCOC(C)(C)Cn1cc(N)cn1
InChIInChI=1S/C13H25N3O2/c1-12(2,17)6-5-7-18-13(3,4)10-16-9-11(14)8-15-16/h8-9,17H,5-7,10,14H2,1-4H3
InChIKeyJYBVZKXYGYYUHF-UHFFFAOYSA-N
XLogP1.81
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminopyrazol-1-yl)-2-methylpropan-2-ol;ethane
CID 178006220
ethane;1-(3-methoxypropyl)pyrazol-4-amine
CID 178006933
4-(1-ethylpyrazol-4-yl)oxy-2-methylbutan-2-ol
CID 116802475
2-(4-aminopyrazol-1-yl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 104758227
1-(2-ethoxyethyl)pyrazol-4-amine
CID 43457185
1-(2,2,3,3-tetrafluoropropyl)pyrazol-4-amine
CID 19622841
tert-butyl N-[3-[[2-(4-aminopyrazol-1-yl)acetyl]amino]propyl]carbamate
CID 114517811
nonyl 2-(4-aminopyrazol-1-yl)acetate
CID 61315598
1-(4-aminopyrazol-1-yl)-3-methylbutan-2-ol
CID 83529434
3-(4-ethoxycarbonylpyrazol-1-yl)-2-hydroxy-2-methylpropanoic acid
CID 81499103
1-[2-(2-methylpropoxy)ethyl]pyrazol-4-amine
CID 62138272
1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]pyrazol-4-amine
CID 62138648

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-aminopyrazol-1-yl)-2-methylpropan-2-yl]oxy-2-methylpentan-2-ol?
The IUPAC name of 5-[1-(4-aminopyrazol-1-yl)-2-methylpropan-2-yl]oxy-2-methylpentan-2-ol (CID 123446358) is 5-[1-(4-aminopyrazol-1-yl)-2-methylpropan-2-yl]oxy-2-methylpentan-2-ol.
What is the SMILES notation for 5-[1-(4-aminopyrazol-1-yl)-2-methylpropan-2-yl]oxy-2-methylpentan-2-ol?
The canonical SMILES for 5-[1-(4-aminopyrazol-1-yl)-2-methylpropan-2-yl]oxy-2-methylpentan-2-ol is CC(C)(O)CCCOC(C)(C)Cn1cc(N)cn1.
What is the InChIKey of 5-[1-(4-aminopyrazol-1-yl)-2-methylpropan-2-yl]oxy-2-methylpentan-2-ol?
The InChIKey is JYBVZKXYGYYUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-12(2,17)6-5-7-18-13(3,4)10-16-9-11(14)8-15-16/h8-9,17H,5-7,10,14H2,1-4H3.
What are the key properties of 5-[1-(4-aminopyrazol-1-yl)-2-methylpropan-2-yl]oxy-2-methylpentan-2-ol?
5-[1-(4-aminopyrazol-1-yl)-2-methylpropan-2-yl]oxy-2-methylpentan-2-ol has a molecular weight of 255.36 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-aminopyrazol-1-yl)-2-methylpropan-2-yl]oxy-2-methylpentan-2-ol is sourced from PubChem (CID 123446358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).