5-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxypentan-1-ol

C12H23N3O2 — CID 114216560

IUPAC5-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxypentan-1-ol
SMILESCC(C)c1nn(C)c(OCCCCCO)c1N
InChIInChI=1S/C12H23N3O2/c1-9(2)11-10(13)12(15(3)14-11)17-8-6-4-5-7-16/h9,16H,4-8,13H2,1-3H3
InChIKeyJHCZYESSLJYRRD-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.67
Rot. Bonds7

About 5-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxypentan-1-ol

5-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxypentan-1-ol (PubChem CID 114216560) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 5-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxypentan-1-ol.

Molecular Properties

Compound Name5-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxypentan-1-ol
PubChem CID114216560
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name5-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxypentan-1-ol
SMILESCC(C)c1nn(C)c(OCCCCCO)c1N
InChIInChI=1S/C12H23N3O2/c1-9(2)11-10(13)12(15(3)14-11)17-8-6-4-5-7-16/h9,16H,4-8,13H2,1-3H3
InChIKeyJHCZYESSLJYRRD-UHFFFAOYSA-N
XLogP1.67
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.67
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

5-hexoxy-1-methyl-3-propan-2-ylpyrazol-4-amine
CID 66011970
1-methyl-3-propan-2-yl-5-(3-pyridin-4-ylpropoxy)pyrazol-4-amine
CID 66012554
1-methyl-5-phenylmethoxy-3-propan-2-ylpyrazol-4-amine
CID 66013530
5-hexoxy-1,3-dimethylpyrazol-4-amine
CID 43554474
3-(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)oxypropan-1-ol
CID 66026391
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-methylamino]ethanol
CID 66019160
1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018774
4-amino-N,N,1-trimethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 20549829
4-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxybenzamide
CID 66013536
5-(3-hydroxypropoxy)-1,3-dimethylpyrazole-4-carboximidamide
CID 63752575
5-(4-amino-5-methyl-2-propan-2-ylphenoxy)pentan-1-ol
CID 65216687
1-methyl-5-(1-methylpyrrolidin-3-yl)oxy-3-propan-2-ylpyrazol-4-amine
CID 112741274

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxypentan-1-ol?
The IUPAC name of 5-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxypentan-1-ol (CID 114216560) is 5-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxypentan-1-ol.
What is the SMILES notation for 5-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxypentan-1-ol?
The canonical SMILES for 5-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxypentan-1-ol is CC(C)c1nn(C)c(OCCCCCO)c1N.
What is the InChIKey of 5-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxypentan-1-ol?
The InChIKey is JHCZYESSLJYRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9(2)11-10(13)12(15(3)14-11)17-8-6-4-5-7-16/h9,16H,4-8,13H2,1-3H3.
What are the key properties of 5-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxypentan-1-ol?
5-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxypentan-1-ol has a molecular weight of 241.33 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxypentan-1-ol is sourced from PubChem (CID 114216560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).