[2-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-chlorophenyl]methanamine

C15H20ClN3O — CID 115951901

IUPAC[2-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-chlorophenyl]methanamine
SMILESCCC(C)n1ccc(COc2c(Cl)cccc2CN)n1
InChIInChI=1S/C15H20ClN3O/c1-3-11(2)19-8-7-13(18-19)10-20-15-12(9-17)5-4-6-14(15)16/h4-8,11H,3,9-10,17H2,1-2H3
InChIKeyYNXZUDWWFYSXTE-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.55
Rot. Bonds6

About [2-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-chlorophenyl]methanamine

[2-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-chlorophenyl]methanamine (PubChem CID 115951901) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is [2-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-chlorophenyl]methanamine.

Molecular Properties

Compound Name[2-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-chlorophenyl]methanamine
PubChem CID115951901
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name[2-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-chlorophenyl]methanamine
SMILESCCC(C)n1ccc(COc2c(Cl)cccc2CN)n1
InChIInChI=1S/C15H20ClN3O/c1-3-11(2)19-8-7-13(18-19)10-20-15-12(9-17)5-4-6-14(15)16/h4-8,11H,3,9-10,17H2,1-2H3
InChIKeyYNXZUDWWFYSXTE-UHFFFAOYSA-N
XLogP3.55
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3,5-dibromo-4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 107741450
[3-chloro-2-(2-ethylbutoxy)phenyl]methanamine
CID 112607589
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,6-dichloroaniline
CID 65468826
1-butan-2-yl-3-[(3-methylphenoxy)methyl]pyrazole
CID 64779517
3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenol
CID 64783416
[3-bromo-4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 64800018
[3-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 112607859
2-[3-methoxy-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64772454
3-[(4-bromophenoxy)methyl]-1-butan-2-ylpyrazole
CID 64801510
[3-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methanamine
CID 112607840
3-[[2-bromo-6-(chloromethyl)phenoxy]methyl]-1-pentan-3-ylpyrazole
CID 64784959
3-[(1-butan-2-ylpyrazol-3-yl)methoxy]benzaldehyde
CID 64800173

Frequently Asked Questions

What is the IUPAC name of [2-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-chlorophenyl]methanamine?
The IUPAC name of [2-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-chlorophenyl]methanamine (CID 115951901) is [2-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-chlorophenyl]methanamine.
What is the SMILES notation for [2-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-chlorophenyl]methanamine?
The canonical SMILES for [2-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-chlorophenyl]methanamine is CCC(C)n1ccc(COc2c(Cl)cccc2CN)n1.
What is the InChIKey of [2-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-chlorophenyl]methanamine?
The InChIKey is YNXZUDWWFYSXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-3-11(2)19-8-7-13(18-19)10-20-15-12(9-17)5-4-6-14(15)16/h4-8,11H,3,9-10,17H2,1-2H3.
What are the key properties of [2-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-chlorophenyl]methanamine?
[2-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-chlorophenyl]methanamine has a molecular weight of 293.80 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-chlorophenyl]methanamine is sourced from PubChem (CID 115951901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).