3-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine

C16H21N3O — CID 82882728

IUPAC3-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine
SMILESCOc1ccc(C2CC(NCc3ccn(C)n3)C2)cc1
InChIInChI=1S/C16H21N3O/c1-19-8-7-14(18-19)11-17-15-9-13(10-15)12-3-5-16(20-2)6-4-12/h3-8,13,15,17H,9-11H2,1-2H3
InChIKeyMIXJPVZTIYZOTG-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.46
Rot. Bonds5

About 3-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine

3-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine (PubChem CID 82882728) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine
PubChem CID82882728
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine
SMILESCOc1ccc(C2CC(NCc3ccn(C)n3)C2)cc1
InChIInChI=1S/C16H21N3O/c1-19-8-7-14(18-19)11-17-15-9-13(10-15)12-3-5-16(20-2)6-4-12/h3-8,13,15,17H,9-11H2,1-2H3
InChIKeyMIXJPVZTIYZOTG-UHFFFAOYSA-N
XLogP2.46
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine
CID 82882566
1-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1,3-diamine
CID 82882921
3-(2-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine
CID 82882732
1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 19618961
3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 115320188
3-(4-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)cyclobutan-1-amine
CID 61285030
N-[(1-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 82881493
(1S)-1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82867137
1-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-2-ol
CID 43635449
N'-[3-(4-methoxyphenyl)cyclobutyl]propane-1,3-diamine
CID 60887983
3-N,3-N-dimethyl-1-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1,3-diamine
CID 115881332
3-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]cyclobutan-1-amine
CID 114698616

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine (CID 82882728) is 3-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine is COc1ccc(C2CC(NCc3ccn(C)n3)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine?
The InChIKey is MIXJPVZTIYZOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19-8-7-14(18-19)11-17-15-9-13(10-15)12-3-5-16(20-2)6-4-12/h3-8,13,15,17H,9-11H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine?
3-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 82882728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).