1-(4-methoxy-1-methylpyrazol-5-yl)-N-propyloctan-1-amine

C16H31N3O — CID 105047055

IUPAC1-(4-methoxy-1-methylpyrazol-5-yl)-N-propyloctan-1-amine
SMILESCCCCCCCC(NCCC)c1c(OC)cnn1C
InChIInChI=1S/C16H31N3O/c1-5-7-8-9-10-11-14(17-12-6-2)16-15(20-4)13-18-19(16)3/h13-14,17H,5-12H2,1-4H3
InChIKeyNEZSYKRKXAJRAN-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.83
Rot. Bonds11

About 1-(4-methoxy-1-methylpyrazol-5-yl)-N-propyloctan-1-amine

1-(4-methoxy-1-methylpyrazol-5-yl)-N-propyloctan-1-amine (PubChem CID 105047055) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(4-methoxy-1-methylpyrazol-5-yl)-N-propyloctan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-1-methylpyrazol-5-yl)-N-propyloctan-1-amine
PubChem CID105047055
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-(4-methoxy-1-methylpyrazol-5-yl)-N-propyloctan-1-amine
SMILESCCCCCCCC(NCCC)c1c(OC)cnn1C
InChIInChI=1S/C16H31N3O/c1-5-7-8-9-10-11-14(17-12-6-2)16-15(20-4)13-18-19(16)3/h13-14,17H,5-12H2,1-4H3
InChIKeyNEZSYKRKXAJRAN-UHFFFAOYSA-N
XLogP3.83
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.83
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-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine
CID 105046940
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylnonan-1-amine
CID 105046852
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpentan-1-amine
CID 114657456
1-(4-methoxy-1-methylpyrazol-5-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 114657283
N-[1-(4-methoxy-1-methylpyrazol-5-yl)-2-propylsulfanylethyl]propan-1-amine
CID 114653618
N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)octan-1-amine
CID 105048951
N-[2-(1,3-dioxolan-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 103547224
1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine
CID 105047246
1-(4-methoxy-1-methylpyrazol-5-yl)-N,2-dipropylpentan-1-amine
CID 105046984
1-(4-methoxy-1-methylpyrazol-5-yl)-2-methyl-N-propylbutan-1-amine
CID 114651756
N-[2,2-dimethoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 114657568
N-[1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 114649519

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-propyloctan-1-amine?
The IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-propyloctan-1-amine (CID 105047055) is 1-(4-methoxy-1-methylpyrazol-5-yl)-N-propyloctan-1-amine.
What is the SMILES notation for 1-(4-methoxy-1-methylpyrazol-5-yl)-N-propyloctan-1-amine?
The canonical SMILES for 1-(4-methoxy-1-methylpyrazol-5-yl)-N-propyloctan-1-amine is CCCCCCCC(NCCC)c1c(OC)cnn1C.
What is the InChIKey of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-propyloctan-1-amine?
The InChIKey is NEZSYKRKXAJRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-5-7-8-9-10-11-14(17-12-6-2)16-15(20-4)13-18-19(16)3/h13-14,17H,5-12H2,1-4H3.
What are the key properties of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-propyloctan-1-amine?
1-(4-methoxy-1-methylpyrazol-5-yl)-N-propyloctan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 3.83, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-methylpyrazol-5-yl)-N-propyloctan-1-amine is sourced from PubChem (CID 105047055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).