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

C17H25N3O — CID 64772318

IUPAC4-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]butan-2-amine
SMILESCC(N)CCc1ccc(OCc2ccn(C(C)C)n2)cc1
InChIInChI=1S/C17H25N3O/c1-13(2)20-11-10-16(19-20)12-21-17-8-6-15(7-9-17)5-4-14(3)18/h6-11,13-14H,4-5,12,18H2,1-3H3
InChIKeyJRZSAOQPPYIOOG-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.32
Rot. Bonds7

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

4-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]butan-2-amine (PubChem CID 64772318) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name4-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]butan-2-amine
PubChem CID64772318
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]butan-2-amine
SMILESCC(N)CCc1ccc(OCc2ccn(C(C)C)n2)cc1
InChIInChI=1S/C17H25N3O/c1-13(2)20-11-10-16(19-20)12-21-17-8-6-15(7-9-17)5-4-14(3)18/h6-11,13-14H,4-5,12,18H2,1-3H3
InChIKeyJRZSAOQPPYIOOG-UHFFFAOYSA-N
XLogP3.32
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(chloromethyl)phenoxy]methyl]-1-propan-2-ylpyrazole
CID 64772205
(1S)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64771249
potassium trifluoro-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]boranuide
CID 64772926
4-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 43184619
(1R)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]propan-1-ol
CID 64773103
4-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]butan-2-amine
CID 62737524
1-[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64772319
4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]butan-2-amine
CID 60879959
4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine
CID 60879201
4-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine
CID 60879766
3-[(4-bromophenoxy)methyl]-1-butan-2-ylpyrazole
CID 64801510
4-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]butan-2-amine
CID 60878632

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]butan-2-amine?
The IUPAC name of 4-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]butan-2-amine (CID 64772318) is 4-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]butan-2-amine.
What is the SMILES notation for 4-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]butan-2-amine?
The canonical SMILES for 4-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]butan-2-amine is CC(N)CCc1ccc(OCc2ccn(C(C)C)n2)cc1.
What is the InChIKey of 4-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]butan-2-amine?
The InChIKey is JRZSAOQPPYIOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13(2)20-11-10-16(19-20)12-21-17-8-6-15(7-9-17)5-4-14(3)18/h6-11,13-14H,4-5,12,18H2,1-3H3.
What are the key properties of 4-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]butan-2-amine?
4-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]butan-2-amine has a molecular weight of 287.41 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]butan-2-amine is sourced from PubChem (CID 64772318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).