1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)hexan-1-amine

C13H25N3O — CID 105048318

IUPAC1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)hexan-1-amine
SMILESCCCCCC(N)c1c(OC)cnn1C(C)C
InChIInChI=1S/C13H25N3O/c1-5-6-7-8-11(14)13-12(17-4)9-15-16(13)10(2)3/h9-11H,5-8,14H2,1-4H3
InChIKeySVXKQDPDIZAURN-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.05
Rot. Bonds7

About 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)hexan-1-amine

1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)hexan-1-amine (PubChem CID 105048318) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)hexan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)hexan-1-amine
PubChem CID105048318
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)hexan-1-amine
SMILESCCCCCC(N)c1c(OC)cnn1C(C)C
InChIInChI=1S/C13H25N3O/c1-5-6-7-8-11(14)13-12(17-4)9-15-16(13)10(2)3/h9-11H,5-8,14H2,1-4H3
InChIKeySVXKQDPDIZAURN-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
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

1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-1-amine
CID 114657506
4-ethoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-1-amine
CID 105186873
1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine
CID 105047246
1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-amine
CID 105047983
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-propylsulfanylethanamine
CID 114653547
[1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-propylpentyl]hydrazine
CID 105339522
3-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-amine
CID 114648518
N-ethyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-amine
CID 114657701
2,2-diethoxy-N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanamine
CID 114657606
2-(4-bromophenyl)sulfanyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanamine
CID 114656012
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105186869
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopropyl)methanamine
CID 114658533

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)hexan-1-amine?
The IUPAC name of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)hexan-1-amine (CID 105048318) is 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)hexan-1-amine.
What is the SMILES notation for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)hexan-1-amine?
The canonical SMILES for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)hexan-1-amine is CCCCCC(N)c1c(OC)cnn1C(C)C.
What is the InChIKey of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)hexan-1-amine?
The InChIKey is SVXKQDPDIZAURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-6-7-8-11(14)13-12(17-4)9-15-16(13)10(2)3/h9-11H,5-8,14H2,1-4H3.
What are the key properties of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)hexan-1-amine?
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)hexan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)hexan-1-amine is sourced from PubChem (CID 105048318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).