N-[(2-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine

C17H23N3 — CID 105188811

IUPACN-[(2-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccccc1C1CCC1)c1ccnn1C
InChIInChI=1S/C17H23N3/c1-3-18-17(16-11-12-19-20(16)2)15-10-5-4-9-14(15)13-7-6-8-13/h4-5,9-13,17-18H,3,6-8H2,1-2H3
InChIKeyQSIDOXVDDNTMJE-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.39
Rot. Bonds5

About N-[(2-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine

N-[(2-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 105188811) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(2-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID105188811
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[(2-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccccc1C1CCC1)c1ccnn1C
InChIInChI=1S/C17H23N3/c1-3-18-17(16-11-12-19-20(16)2)15-10-5-4-9-14(15)13-7-6-8-13/h4-5,9-13,17-18H,3,6-8H2,1-2H3
InChIKeyQSIDOXVDDNTMJE-UHFFFAOYSA-N
XLogP3.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858860
N-[(2-cyclobutylphenyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 105052333
N-[(2-chlorofuran-3-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 106692062
N-[(2-cyclobutylphenyl)-(4-methylthiophen-3-yl)methyl]ethanamine
CID 114604084
N-[(2-cyclobutylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 105052183
N-[(4-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105185341
1-(2-cyclobutylphenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 114604500
N-[(2,4-difluoro-5-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858665
N-[(5-fluoro-2-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63960984
N-[(2-chloro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 106857640
N-[(2-methylpyrazol-3-yl)-(4-methylquinolin-2-yl)methyl]ethanamine
CID 114755312
N-[(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858831

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine (CID 105188811) is N-[(2-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine is CCNC(c1ccccc1C1CCC1)c1ccnn1C.
What is the InChIKey of N-[(2-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is QSIDOXVDDNTMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-18-17(16-11-12-19-20(16)2)15-10-5-4-9-14(15)13-7-6-8-13/h4-5,9-13,17-18H,3,6-8H2,1-2H3.
What are the key properties of N-[(2-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine?
N-[(2-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 105188811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).