[5-chloro-2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine

C16H22ClN3O — CID 64800984

IUPAC[5-chloro-2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine
SMILESCCC(CC)n1ccc(COc2ccc(Cl)cc2CN)n1
InChIInChI=1S/C16H22ClN3O/c1-3-15(4-2)20-8-7-14(19-20)11-21-16-6-5-13(17)9-12(16)10-18/h5-9,15H,3-4,10-11,18H2,1-2H3
InChIKeyWFBXZGYNAJDBAJ-UHFFFAOYSA-N
MW307.83 g/mol
LogP3.94
Rot. Bonds7

About [5-chloro-2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine

[5-chloro-2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine (PubChem CID 64800984) has the molecular formula C16H22ClN3O and a molecular weight of 307.83 g/mol. Its IUPAC name is [5-chloro-2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine
PubChem CID64800984
Molecular FormulaC16H22ClN3O
Molecular Weight307.83 g/mol
Exact Mass307.15
IUPAC Name[5-chloro-2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine
SMILESCCC(CC)n1ccc(COc2ccc(Cl)cc2CN)n1
InChIInChI=1S/C16H22ClN3O/c1-3-15(4-2)20-8-7-14(19-20)11-21-16-6-5-13(17)9-12(16)10-18/h5-9,15H,3-4,10-11,18H2,1-2H3
InChIKeyWFBXZGYNAJDBAJ-UHFFFAOYSA-N
XLogP3.94
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]pyridin-2-amine
CID 64801745
2-[2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 107713285
3-bromo-5-chloro-2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]aniline
CID 64799431
5-bromo-4-fluoro-2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]aniline
CID 103483064
[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
CID 60880022
3-[(5-bromo-2,3-difluorophenoxy)methyl]-1-pentan-3-ylpyrazole
CID 107098632
3-[(2,5-dichlorophenoxy)methyl]-1-propan-2-ylpyrazole
CID 78967539
[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine
CID 107041085
3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]propan-1-amine
CID 64783227
[5-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine
CID 115331284
3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]aniline
CID 64799429
(1R)-1-[2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 79001134

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine?
The IUPAC name of [5-chloro-2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine (CID 64800984) is [5-chloro-2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [5-chloro-2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [5-chloro-2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine is CCC(CC)n1ccc(COc2ccc(Cl)cc2CN)n1.
What is the InChIKey of [5-chloro-2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine?
The InChIKey is WFBXZGYNAJDBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-3-15(4-2)20-8-7-14(19-20)11-21-16-6-5-13(17)9-12(16)10-18/h5-9,15H,3-4,10-11,18H2,1-2H3.
What are the key properties of [5-chloro-2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine?
[5-chloro-2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine has a molecular weight of 307.83 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 64800984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).