[4-[3-(3,5-diethylpyrazol-1-yl)propoxy]phenyl]methanamine

C17H25N3O — CID 82696076

IUPAC[4-[3-(3,5-diethylpyrazol-1-yl)propoxy]phenyl]methanamine
SMILESCCc1cc(CC)n(CCCOc2ccc(CN)cc2)n1
InChIInChI=1S/C17H25N3O/c1-3-15-12-16(4-2)20(19-15)10-5-11-21-17-8-6-14(13-18)7-9-17/h6-9,12H,3-5,10-11,13,18H2,1-2H3
InChIKeyDLBPGSNQDWJIBH-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.94
Rot. Bonds8

About [4-[3-(3,5-diethylpyrazol-1-yl)propoxy]phenyl]methanamine

[4-[3-(3,5-diethylpyrazol-1-yl)propoxy]phenyl]methanamine (PubChem CID 82696076) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is [4-[3-(3,5-diethylpyrazol-1-yl)propoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[3-(3,5-diethylpyrazol-1-yl)propoxy]phenyl]methanamine
PubChem CID82696076
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name[4-[3-(3,5-diethylpyrazol-1-yl)propoxy]phenyl]methanamine
SMILESCCc1cc(CC)n(CCCOc2ccc(CN)cc2)n1
InChIInChI=1S/C17H25N3O/c1-3-15-12-16(4-2)20(19-15)10-5-11-21-17-8-6-14(13-18)7-9-17/h6-9,12H,3-5,10-11,13,18H2,1-2H3
InChIKeyDLBPGSNQDWJIBH-UHFFFAOYSA-N
XLogP2.94
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
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

3-[3-(3,5-diethylpyrazol-1-yl)propoxy]benzonitrile
CID 82696240
[2-[3-(3,5-diethylpyrazol-1-yl)propoxy]phenyl]methanamine
CID 82696077
[3-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]methanamine
CID 82691975
3,5-diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazole
CID 82699534
3,5-diethyl-1-propylpyrazole
CID 82699697
[4-[3-(3-ethylphenoxy)propoxy]phenyl]methanamine
CID 43254285
(4-decoxyphenyl)methanamine
CID 55187501
[4-(4-butoxyphenyl)phenyl]methanamine
CID 43366436
3,5-diethyl-1-(2-propoxyethyl)pyrazole
CID 106458013
[4-[(3,5-diethylpyrazol-1-yl)methyl]-3-methylphenyl]methanamine
CID 114479159
[4-(3-indazol-1-ylpropoxy)phenyl]methanamine
CID 62140171
4-[(3,5-diethylpyrazol-1-yl)methyl]aniline
CID 82692087

Frequently Asked Questions

What is the IUPAC name of [4-[3-(3,5-diethylpyrazol-1-yl)propoxy]phenyl]methanamine?
The IUPAC name of [4-[3-(3,5-diethylpyrazol-1-yl)propoxy]phenyl]methanamine (CID 82696076) is [4-[3-(3,5-diethylpyrazol-1-yl)propoxy]phenyl]methanamine.
What is the SMILES notation for [4-[3-(3,5-diethylpyrazol-1-yl)propoxy]phenyl]methanamine?
The canonical SMILES for [4-[3-(3,5-diethylpyrazol-1-yl)propoxy]phenyl]methanamine is CCc1cc(CC)n(CCCOc2ccc(CN)cc2)n1.
What is the InChIKey of [4-[3-(3,5-diethylpyrazol-1-yl)propoxy]phenyl]methanamine?
The InChIKey is DLBPGSNQDWJIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-15-12-16(4-2)20(19-15)10-5-11-21-17-8-6-14(13-18)7-9-17/h6-9,12H,3-5,10-11,13,18H2,1-2H3.
What are the key properties of [4-[3-(3,5-diethylpyrazol-1-yl)propoxy]phenyl]methanamine?
[4-[3-(3,5-diethylpyrazol-1-yl)propoxy]phenyl]methanamine has a molecular weight of 287.41 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(3,5-diethylpyrazol-1-yl)propoxy]phenyl]methanamine is sourced from PubChem (CID 82696076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).