5-methyl-1-[4-(3-methylphenoxy)butyl]pyrazol-3-amine

C15H21N3O — CID 51000041

IUPAC5-methyl-1-[4-(3-methylphenoxy)butyl]pyrazol-3-amine
SMILESCc1cccc(OCCCCn2nc(N)cc2C)c1
InChIInChI=1S/C15H21N3O/c1-12-6-5-7-14(10-12)19-9-4-3-8-18-13(2)11-15(16)17-18/h5-7,10-11H,3-4,8-9H2,1-2H3,(H2,16,17)
InChIKeyDNXRADZIJCGHCI-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.94
Rot. Bonds6

About 5-methyl-1-[4-(3-methylphenoxy)butyl]pyrazol-3-amine

5-methyl-1-[4-(3-methylphenoxy)butyl]pyrazol-3-amine (PubChem CID 51000041) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-methyl-1-[4-(3-methylphenoxy)butyl]pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-1-[4-(3-methylphenoxy)butyl]pyrazol-3-amine
PubChem CID51000041
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name5-methyl-1-[4-(3-methylphenoxy)butyl]pyrazol-3-amine
SMILESCc1cccc(OCCCCn2nc(N)cc2C)c1
InChIInChI=1S/C15H21N3O/c1-12-6-5-7-14(10-12)19-9-4-3-8-18-13(2)11-15(16)17-18/h5-7,10-11H,3-4,8-9H2,1-2H3,(H2,16,17)
InChIKeyDNXRADZIJCGHCI-UHFFFAOYSA-N
XLogP2.94
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.94
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

5-methyl-1-[(3-methylphenoxy)methyl]pyrazol-3-amine
CID 19618420
1-[4-(4-fluorophenoxy)butyl]-5-methylpyrazol-3-amine
CID 50999579
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
2-(3-methylphenoxy)ethyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55562154
3-[4-(3-methylphenoxy)butoxy]aniline
CID 39109349
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(3-methylphenoxy)propanamide
CID 4795855
ethyl 5-amino-1-[4-(3-methylphenoxy)butyl]triazole-4-carboxylate
CID 94945292
1-[4-(3-methylphenoxy)butyl]imidazole
CID 2841395
1-[6-(3-methylphenoxy)hexyl]pyrrolidine
CID 2057335
[5-ethyl-1-[3-(3-methylphenoxy)propyl]triazol-4-yl]methanamine
CID 82209561
1-methyl-3-pentadecoxybenzene
CID 154641822

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[4-(3-methylphenoxy)butyl]pyrazol-3-amine?
The IUPAC name of 5-methyl-1-[4-(3-methylphenoxy)butyl]pyrazol-3-amine (CID 51000041) is 5-methyl-1-[4-(3-methylphenoxy)butyl]pyrazol-3-amine.
What is the SMILES notation for 5-methyl-1-[4-(3-methylphenoxy)butyl]pyrazol-3-amine?
The canonical SMILES for 5-methyl-1-[4-(3-methylphenoxy)butyl]pyrazol-3-amine is Cc1cccc(OCCCCn2nc(N)cc2C)c1.
What is the InChIKey of 5-methyl-1-[4-(3-methylphenoxy)butyl]pyrazol-3-amine?
The InChIKey is DNXRADZIJCGHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12-6-5-7-14(10-12)19-9-4-3-8-18-13(2)11-15(16)17-18/h5-7,10-11H,3-4,8-9H2,1-2H3,(H2,16,17).
What are the key properties of 5-methyl-1-[4-(3-methylphenoxy)butyl]pyrazol-3-amine?
5-methyl-1-[4-(3-methylphenoxy)butyl]pyrazol-3-amine has a molecular weight of 259.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[4-(3-methylphenoxy)butyl]pyrazol-3-amine is sourced from PubChem (CID 51000041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).