5-hexoxy-1-methyl-3-propan-2-ylpyrazol-4-amine

C13H25N3O — CID 66011970

IUPAC5-hexoxy-1-methyl-3-propan-2-ylpyrazol-4-amine
SMILESCCCCCCOc1c(N)c(C(C)C)nn1C
InChIInChI=1S/C13H25N3O/c1-5-6-7-8-9-17-13-11(14)12(10(2)3)15-16(13)4/h10H,5-9,14H2,1-4H3
InChIKeyDOFNTDXSNCHKLR-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.08
Rot. Bonds7

About 5-hexoxy-1-methyl-3-propan-2-ylpyrazol-4-amine

5-hexoxy-1-methyl-3-propan-2-ylpyrazol-4-amine (PubChem CID 66011970) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 5-hexoxy-1-methyl-3-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name5-hexoxy-1-methyl-3-propan-2-ylpyrazol-4-amine
PubChem CID66011970
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name5-hexoxy-1-methyl-3-propan-2-ylpyrazol-4-amine
SMILESCCCCCCOc1c(N)c(C(C)C)nn1C
InChIInChI=1S/C13H25N3O/c1-5-6-7-8-9-17-13-11(14)12(10(2)3)15-16(13)4/h10H,5-9,14H2,1-4H3
InChIKeyDOFNTDXSNCHKLR-UHFFFAOYSA-N
XLogP3.08
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxypentan-1-ol
CID 114216560
5-hexoxy-1,3-dimethylpyrazol-4-amine
CID 43554474
5-[2-(diethylamino)ethoxy]-1-methyl-3-propan-2-ylpyrazol-4-amine
CID 66011388
1-methyl-5-phenylmethoxy-3-propan-2-ylpyrazol-4-amine
CID 66013530
2-(4-bromo-1-methyl-3-propan-2-ylpyrazol-5-yl)oxyethanamine
CID 84710739
ethyl 3-(2-methyl-3-octoxypyrazolo[4,3-d]pyrimidin-7-yl)sulfanylbutanoate
CID 70482857
6-heptoxy-5-propan-2-ylpyrimidin-4-amine
CID 80861295
5-N-(2-ethoxyethyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine
CID 81059062
5-(2-ethoxyethoxy)-1,3-dimethylpyrazol-4-amine
CID 43554429
5-[3-(2-methoxyethoxy)propoxy]-1,3-dimethylpyrazol-4-amine
CID 103400910
5-(2-ethylhexoxy)-1-methyl-3-propylpyrazol-4-amine
CID 66019695
5-N,1-dimethyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine
CID 66012525

Frequently Asked Questions

What is the IUPAC name of 5-hexoxy-1-methyl-3-propan-2-ylpyrazol-4-amine?
The IUPAC name of 5-hexoxy-1-methyl-3-propan-2-ylpyrazol-4-amine (CID 66011970) is 5-hexoxy-1-methyl-3-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 5-hexoxy-1-methyl-3-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 5-hexoxy-1-methyl-3-propan-2-ylpyrazol-4-amine is CCCCCCOc1c(N)c(C(C)C)nn1C.
What is the InChIKey of 5-hexoxy-1-methyl-3-propan-2-ylpyrazol-4-amine?
The InChIKey is DOFNTDXSNCHKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-6-7-8-9-17-13-11(14)12(10(2)3)15-16(13)4/h10H,5-9,14H2,1-4H3.
What are the key properties of 5-hexoxy-1-methyl-3-propan-2-ylpyrazol-4-amine?
5-hexoxy-1-methyl-3-propan-2-ylpyrazol-4-amine has a molecular weight of 239.36 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexoxy-1-methyl-3-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 66011970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).