(1S)-1-cyclopentyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine

C17H23N3 — CID 81385943

IUPAC(1S)-1-cyclopentyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
SMILESC[C@H](NCc1cnn(-c2ccccc2)c1)C1CCCC1
InChIInChI=1S/C17H23N3/c1-14(16-7-5-6-8-16)18-11-15-12-19-20(13-15)17-9-3-2-4-10-17/h2-4,9-10,12-14,16,18H,5-8,11H2,1H3/t14-/m0/s1
InChIKeyNPJOXNJJMQYSOC-AWEZNQCLSA-N
MW269.39 g/mol
LogP3.54
Rot. Bonds5

About (1S)-1-cyclopentyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine

(1S)-1-cyclopentyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine (PubChem CID 81385943) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is (1S)-1-cyclopentyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclopentyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
PubChem CID81385943
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name(1S)-1-cyclopentyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
SMILESC[C@H](NCc1cnn(-c2ccccc2)c1)C1CCCC1
InChIInChI=1S/C17H23N3/c1-14(16-7-5-6-8-16)18-11-15-12-19-20(13-15)17-9-3-2-4-10-17/h2-4,9-10,12-14,16,18H,5-8,11H2,1H3/t14-/m0/s1
InChIKeyNPJOXNJJMQYSOC-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-cyclohexyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81387813
(1S)-1-cyclopropyl-2-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 97062742
1-cyclopropyl-2-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 71916254
(1S)-1-cyclopentyl-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
CID 81386103
(1S)-1-cyclopentyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]ethanamine
CID 81473468
N-[(1S)-1-cyclopropylethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 52528125
(1S)-1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 81393534
N-[(1-phenylpyrazol-4-yl)methyl]hexan-2-amine
CID 62196925
2,6-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-amine
CID 83009169
(2S)-3-methyl-2-[(1-phenylpyrazol-4-yl)methylamino]butanoic acid
CID 120510466
4-methylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]butan-2-amine
CID 115640103
2-[(1-phenylpyrazol-4-yl)methylamino]-N-propylpropanamide
CID 43225383

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopentyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-cyclopentyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine (CID 81385943) is (1S)-1-cyclopentyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclopentyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-cyclopentyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine is C[C@H](NCc1cnn(-c2ccccc2)c1)C1CCCC1.
What is the InChIKey of (1S)-1-cyclopentyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is NPJOXNJJMQYSOC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3/c1-14(16-7-5-6-8-16)18-11-15-12-19-20(13-15)17-9-3-2-4-10-17/h2-4,9-10,12-14,16,18H,5-8,11H2,1H3/t14-/m0/s1.
What are the key properties of (1S)-1-cyclopentyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine?
(1S)-1-cyclopentyl-N-[(1-phenylpyrazol-4-yl)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-[(1-phenylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 81385943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).