(1S)-1-cyclopentyl-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine

C17H23N3 — CID 81386103

IUPAC(1S)-1-cyclopentyl-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
SMILESC[C@H](NCc1ccc(-n2cccn2)cc1)C1CCCC1
InChIInChI=1S/C17H23N3/c1-14(16-5-2-3-6-16)18-13-15-7-9-17(10-8-15)20-12-4-11-19-20/h4,7-12,14,16,18H,2-3,5-6,13H2,1H3/t14-/m0/s1
InChIKeyIQAWJLDUQVZTDM-AWEZNQCLSA-N
MW269.39 g/mol
LogP3.54
Rot. Bonds5

About (1S)-1-cyclopentyl-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine

(1S)-1-cyclopentyl-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine (PubChem CID 81386103) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is (1S)-1-cyclopentyl-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclopentyl-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
PubChem CID81386103
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name(1S)-1-cyclopentyl-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
SMILESC[C@H](NCc1ccc(-n2cccn2)cc1)C1CCCC1
InChIInChI=1S/C17H23N3/c1-14(16-5-2-3-6-16)18-13-15-7-9-17(10-8-15)20-12-4-11-19-20/h4,7-12,14,16,18H,2-3,5-6,13H2,1H3/t14-/m0/s1
InChIKeyIQAWJLDUQVZTDM-AWEZNQCLSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-cyclopentyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 81385943
(1S)-1-cyclopentyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81386101
(1R)-1-cyclopentyl-N-[(4-methylphenyl)methyl]ethanamine
CID 81394920
2-[(4-pyrazol-1-ylphenyl)methylamino]cyclohexan-1-ol
CID 60612400
(1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81387895
1-methoxy-3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine
CID 65047843
N-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide
CID 43232183
1-(5-methylthiophen-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
CID 61472968
3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine
CID 43775489
2-[(4-pyrazol-1-ylphenyl)methylamino]propane-1,3-diol
CID 65310420
(1S)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81390306
(1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81384290

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopentyl-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-cyclopentyl-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine (CID 81386103) is (1S)-1-cyclopentyl-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclopentyl-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-cyclopentyl-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine is C[C@H](NCc1ccc(-n2cccn2)cc1)C1CCCC1.
What is the InChIKey of (1S)-1-cyclopentyl-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine?
The InChIKey is IQAWJLDUQVZTDM-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3/c1-14(16-5-2-3-6-16)18-13-15-7-9-17(10-8-15)20-12-4-11-19-20/h4,7-12,14,16,18H,2-3,5-6,13H2,1H3/t14-/m0/s1.
What are the key properties of (1S)-1-cyclopentyl-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine?
(1S)-1-cyclopentyl-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopentyl-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 81386103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).