5-methoxy-1-methyl-N-(3-piperidin-2-ylpropyl)pyrazol-3-amine

C13H24N4O — CID 114256072

IUPAC5-methoxy-1-methyl-N-(3-piperidin-2-ylpropyl)pyrazol-3-amine
SMILESCOc1cc(NCCCC2CCCCN2)nn1C
InChIInChI=1S/C13H24N4O/c1-17-13(18-2)10-12(16-17)15-9-5-7-11-6-3-4-8-14-11/h10-11,14H,3-9H2,1-2H3,(H,15,16)
InChIKeyLFXNJNJUGXWASG-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.76
Rot. Bonds6

About 5-methoxy-1-methyl-N-(3-piperidin-2-ylpropyl)pyrazol-3-amine

5-methoxy-1-methyl-N-(3-piperidin-2-ylpropyl)pyrazol-3-amine (PubChem CID 114256072) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-methoxy-1-methyl-N-(3-piperidin-2-ylpropyl)pyrazol-3-amine.

Molecular Properties

Compound Name5-methoxy-1-methyl-N-(3-piperidin-2-ylpropyl)pyrazol-3-amine
PubChem CID114256072
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name5-methoxy-1-methyl-N-(3-piperidin-2-ylpropyl)pyrazol-3-amine
SMILESCOc1cc(NCCCC2CCCCN2)nn1C
InChIInChI=1S/C13H24N4O/c1-17-13(18-2)10-12(16-17)15-9-5-7-11-6-3-4-8-14-11/h10-11,14H,3-9H2,1-2H3,(H,15,16)
InChIKeyLFXNJNJUGXWASG-UHFFFAOYSA-N
XLogP1.76
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-1-methyl-N-(2-piperidin-4-ylethyl)pyrazol-3-amine
CID 114256042
2-[(5-methoxy-3-methylpyrazol-1-yl)methyl]piperidine
CID 84722956
6-methoxy-2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine
CID 104973053
6-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazin-2-amine
CID 104973532
2-(4-methoxy-4-methylpentyl)piperidine
CID 121009823
3-ethyl-1-methyl-N-(2-piperidin-2-ylethyl)pyrazole-5-carboxamide
CID 66120526
(2S)-2-[3-[(2S)-piperidin-2-yl]propyl]piperidine
CID 29416072
(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
CID 29416085
(2S)-2-(3-methoxypropyl)piperidine
CID 40729361
5-methoxy-2-(2-piperidin-2-ylethyl)-1,3-dihydroisoindole
CID 82164132
6-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 104972856
N-(5-methyl-1,2-oxazol-3-yl)-2-piperidin-2-ylethanesulfonamide
CID 54973736

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-N-(3-piperidin-2-ylpropyl)pyrazol-3-amine?
The IUPAC name of 5-methoxy-1-methyl-N-(3-piperidin-2-ylpropyl)pyrazol-3-amine (CID 114256072) is 5-methoxy-1-methyl-N-(3-piperidin-2-ylpropyl)pyrazol-3-amine.
What is the SMILES notation for 5-methoxy-1-methyl-N-(3-piperidin-2-ylpropyl)pyrazol-3-amine?
The canonical SMILES for 5-methoxy-1-methyl-N-(3-piperidin-2-ylpropyl)pyrazol-3-amine is COc1cc(NCCCC2CCCCN2)nn1C.
What is the InChIKey of 5-methoxy-1-methyl-N-(3-piperidin-2-ylpropyl)pyrazol-3-amine?
The InChIKey is LFXNJNJUGXWASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-17-13(18-2)10-12(16-17)15-9-5-7-11-6-3-4-8-14-11/h10-11,14H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 5-methoxy-1-methyl-N-(3-piperidin-2-ylpropyl)pyrazol-3-amine?
5-methoxy-1-methyl-N-(3-piperidin-2-ylpropyl)pyrazol-3-amine has a molecular weight of 252.36 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-N-(3-piperidin-2-ylpropyl)pyrazol-3-amine is sourced from PubChem (CID 114256072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).