3-propan-2-yloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine

C13H25N3O — CID 28727158

IUPAC3-propan-2-yloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
SMILESCc1nn(C)c(C)c1CNCCCOC(C)C
InChIInChI=1S/C13H25N3O/c1-10(2)17-8-6-7-14-9-13-11(3)15-16(5)12(13)4/h10,14H,6-9H2,1-5H3
InChIKeyRSBAGJFDDPAYIC-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.94
Rot. Bonds7

About 3-propan-2-yloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine

3-propan-2-yloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 28727158) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-propan-2-yloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID28727158
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-propan-2-yloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
SMILESCc1nn(C)c(C)c1CNCCCOC(C)C
InChIInChI=1S/C13H25N3O/c1-10(2)17-8-6-7-14-9-13-11(3)15-16(5)12(13)4/h10,14H,6-9H2,1-5H3
InChIKeyRSBAGJFDDPAYIC-UHFFFAOYSA-N
XLogP1.94
TPSA39.08 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 ≤ 51.94
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'-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 113410291
3-(2,2,2-trifluoroethoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 112727734
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]octan-1-amine
CID 78911426
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-propan-2-yloxybutan-1-amine
CID 107302780
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pent-4-en-1-amine
CID 78993034
1,3,5-trimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
CID 19684327
3-(4-methylpiperazin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 28656946
3,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-1-amine
CID 112727542
propan-2-yl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate
CID 79237085
3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-2-ol
CID 111422037
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxypropan-1-amine
CID 122165875
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-propan-2-yloxyethanamine
CID 104760117

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-propan-2-yloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine (CID 28727158) is 3-propan-2-yloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-propan-2-yloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-propan-2-yloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine is Cc1nn(C)c(C)c1CNCCCOC(C)C.
What is the InChIKey of 3-propan-2-yloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is RSBAGJFDDPAYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10(2)17-8-6-7-14-9-13-11(3)15-16(5)12(13)4/h10,14H,6-9H2,1-5H3.
What are the key properties of 3-propan-2-yloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine?
3-propan-2-yloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 28727158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).