4-(2,5-dimethylpyrazol-3-yl)oxy-N-propan-2-ylbutan-1-amine

C12H23N3O — CID 81345697

IUPAC4-(2,5-dimethylpyrazol-3-yl)oxy-N-propan-2-ylbutan-1-amine
SMILESCc1cc(OCCCCNC(C)C)n(C)n1
InChIInChI=1S/C12H23N3O/c1-10(2)13-7-5-6-8-16-12-9-11(3)14-15(12)4/h9-10,13H,5-8H2,1-4H3
InChIKeyBLUJGXLQPFBRCO-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.89
Rot. Bonds7

About 4-(2,5-dimethylpyrazol-3-yl)oxy-N-propan-2-ylbutan-1-amine

4-(2,5-dimethylpyrazol-3-yl)oxy-N-propan-2-ylbutan-1-amine (PubChem CID 81345697) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrazol-3-yl)oxy-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(2,5-dimethylpyrazol-3-yl)oxy-N-propan-2-ylbutan-1-amine
PubChem CID81345697
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-(2,5-dimethylpyrazol-3-yl)oxy-N-propan-2-ylbutan-1-amine
SMILESCc1cc(OCCCCNC(C)C)n(C)n1
InChIInChI=1S/C12H23N3O/c1-10(2)13-7-5-6-8-16-12-9-11(3)14-15(12)4/h9-10,13H,5-8H2,1-4H3
InChIKeyBLUJGXLQPFBRCO-UHFFFAOYSA-N
XLogP1.89
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.89
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

N-tert-butyl-5-(2,5-dimethylpyrazol-3-yl)oxypentan-1-amine
CID 81346395
6-(2,5-dimethylpyrazol-3-yl)oxyhexan-1-amine
CID 81345938
3-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propan-2-ylpropan-1-amine
CID 106598202
4-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 81018593
4-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylbutan-1-amine
CID 55077310
4-(4-chloro-2,6-dimethylphenoxy)-N-propan-2-ylbutan-1-amine
CID 62450741
2-[4-[(2,5-dimethylpyrazol-3-yl)oxymethyl]phenyl]-N-ethylethanamine
CID 105351178
4-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylpentan-1-amine
CID 62448526
4-(3,4-dichlorophenoxy)-N-propan-2-ylbutan-1-amine
CID 2298232
5-(3,4-dichlorophenoxy)-N-propan-2-ylpentan-1-amine
CID 62485763
N-propan-2-yl-4-(2,4,6-trichlorophenoxy)butan-1-amine
CID 62572065
N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-3-methoxypropan-1-amine
CID 43205172

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)oxy-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)oxy-N-propan-2-ylbutan-1-amine (CID 81345697) is 4-(2,5-dimethylpyrazol-3-yl)oxy-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(2,5-dimethylpyrazol-3-yl)oxy-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(2,5-dimethylpyrazol-3-yl)oxy-N-propan-2-ylbutan-1-amine is Cc1cc(OCCCCNC(C)C)n(C)n1.
What is the InChIKey of 4-(2,5-dimethylpyrazol-3-yl)oxy-N-propan-2-ylbutan-1-amine?
The InChIKey is BLUJGXLQPFBRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10(2)13-7-5-6-8-16-12-9-11(3)14-15(12)4/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 4-(2,5-dimethylpyrazol-3-yl)oxy-N-propan-2-ylbutan-1-amine?
4-(2,5-dimethylpyrazol-3-yl)oxy-N-propan-2-ylbutan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrazol-3-yl)oxy-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 81345697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).