1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine

C15H21N3O — CID 54928987

IUPAC1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(OCc2cnn(C)c2)c1
InChIInChI=1S/C15H21N3O/c1-3-14(16)7-12-5-4-6-15(8-12)19-11-13-9-17-18(2)10-13/h4-6,8-10,14H,3,7,11,16H2,1-2H3
InChIKeyBKKCHMKUASZDEB-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.28
Rot. Bonds6

About 1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine

1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine (PubChem CID 54928987) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine
PubChem CID54928987
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(OCc2cnn(C)c2)c1
InChIInChI=1S/C15H21N3O/c1-3-14(16)7-12-5-4-6-15(8-12)19-11-13-9-17-18(2)10-13/h4-6,8-10,14H,3,7,11,16H2,1-2H3
InChIKeyBKKCHMKUASZDEB-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine
CID 54928885
2-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 54930677
1-[3-(pyridin-3-ylmethoxy)phenyl]butan-2-amine
CID 54929362
1-[3-(pyrimidin-2-ylmethoxy)phenyl]butan-2-amine
CID 62699406
1-[3-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine
CID 115958849
4-[(3-bromophenoxy)methyl]-1-methylpyrazole
CID 28782443
N-[1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 60888002
1-(3-prop-2-ynoxyphenyl)butan-2-amine
CID 60907609
1-[3-(2,2,2-trifluoroethoxy)phenyl]butan-2-amine
CID 54929405
1-[3-(cyclobutylmethoxy)phenyl]butan-2-amine
CID 65459310
1-[2-bromo-5-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]butan-2-amine
CID 103013194
1-ethyl-4-[(3-ethylphenoxy)methyl]pyrazole
CID 64764003

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine?
The IUPAC name of 1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine (CID 54928987) is 1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine?
The canonical SMILES for 1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine is CCC(N)Cc1cccc(OCc2cnn(C)c2)c1.
What is the InChIKey of 1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine?
The InChIKey is BKKCHMKUASZDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-14(16)7-12-5-4-6-15(8-12)19-11-13-9-17-18(2)10-13/h4-6,8-10,14H,3,7,11,16H2,1-2H3.
What are the key properties of 1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine?
1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine has a molecular weight of 259.35 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine is sourced from PubChem (CID 54928987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).