[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanamine

C16H23N3O2 — CID 64801160

IUPAC[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanamine
SMILESCCC(C)n1ccc(COc2ccc(CN)cc2OC)n1
InChIInChI=1S/C16H23N3O2/c1-4-12(2)19-8-7-14(18-19)11-21-15-6-5-13(10-17)9-16(15)20-3/h5-9,12H,4,10-11,17H2,1-3H3
InChIKeyMPTQYZNQDSXDSF-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.90
Rot. Bonds7

About [4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanamine

[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanamine (PubChem CID 64801160) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is [4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanamine
PubChem CID64801160
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanamine
SMILESCCC(C)n1ccc(COc2ccc(CN)cc2OC)n1
InChIInChI=1S/C16H23N3O2/c1-4-12(2)19-8-7-14(18-19)11-21-15-6-5-13(10-17)9-16(15)20-3/h5-9,12H,4,10-11,17H2,1-3H3
InChIKeyMPTQYZNQDSXDSF-UHFFFAOYSA-N
XLogP2.90
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanol
CID 64785920
[3-bromo-4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 64800018
[3,5-dibromo-4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 107741450
5-amino-2-[(1-butan-2-ylpyrazol-3-yl)methoxy]benzamide
CID 106956243
[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
CID 60878682
[4-(ethoxymethoxy)-3-methoxyphenyl]methanamine
CID 65364711
3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenol
CID 64783416
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 16774045
3-[(4-bromophenoxy)methyl]-1-butan-2-ylpyrazole
CID 64801510
1-butan-2-yl-3-[(3-methylphenoxy)methyl]pyrazole
CID 64779517
2-[3-chloro-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64773168
[2-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-chlorophenyl]methanamine
CID 115951901

Frequently Asked Questions

What is the IUPAC name of [4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanamine?
The IUPAC name of [4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanamine (CID 64801160) is [4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanamine.
What is the SMILES notation for [4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanamine?
The canonical SMILES for [4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanamine is CCC(C)n1ccc(COc2ccc(CN)cc2OC)n1.
What is the InChIKey of [4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanamine?
The InChIKey is MPTQYZNQDSXDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-12(2)19-8-7-14(18-19)11-21-15-6-5-13(10-17)9-16(15)20-3/h5-9,12H,4,10-11,17H2,1-3H3.
What are the key properties of [4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanamine?
[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanamine has a molecular weight of 289.38 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanamine is sourced from PubChem (CID 64801160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).