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

C18H25N3 — CID 81473468

IUPAC(1S)-1-cyclopentyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]ethanamine
SMILESCC(N[C@@H](C)C1CCCC1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H25N3/c1-14(16-8-6-7-9-16)20-15(2)17-12-19-21(13-17)18-10-4-3-5-11-18/h3-5,10-16,20H,6-9H2,1-2H3/t14-,15?/m0/s1
InChIKeyUXNJLMXPSJMDJZ-MLCCFXAWSA-N
MW283.42 g/mol
LogP4.10
Rot. Bonds5

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

(1S)-1-cyclopentyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]ethanamine (PubChem CID 81473468) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is (1S)-1-cyclopentyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclopentyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]ethanamine
PubChem CID81473468
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name(1S)-1-cyclopentyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]ethanamine
SMILESCC(N[C@@H](C)C1CCCC1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H25N3/c1-14(16-8-6-7-9-16)20-15(2)17-12-19-21(13-17)18-10-4-3-5-11-18/h3-5,10-16,20H,6-9H2,1-2H3/t14-,15?/m0/s1
InChIKeyUXNJLMXPSJMDJZ-MLCCFXAWSA-N
XLogP4.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]butan-2-amine
CID 81300600
(1S)-1-cyclopentyl-N-[(1R)-1-phenylethyl]ethanamine
CID 67209455
1-cyclobutyl-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486034
(1S)-1-cyclopentyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 81385943
cyclohexyl-(1-phenylpyrazol-4-yl)methanol
CID 61088953
[cyclohexyl-(1-phenylpyrazol-4-yl)methyl]hydrazine
CID 105282022
1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645
2-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
CID 81343823
4-[bromo(cyclobutyl)methyl]-1-phenylpyrazole
CID 61096953
N-[1-(1-phenylpyrazol-4-yl)ethyl]thiolan-3-amine
CID 103902666
2,3-dimethyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]cyclopentan-1-amine
CID 81473453
N-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine
CID 82706482

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopentyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]ethanamine?
The IUPAC name of (1S)-1-cyclopentyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]ethanamine (CID 81473468) is (1S)-1-cyclopentyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclopentyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-cyclopentyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]ethanamine is CC(N[C@@H](C)C1CCCC1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of (1S)-1-cyclopentyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]ethanamine?
The InChIKey is UXNJLMXPSJMDJZ-MLCCFXAWSA-N. The full InChI is InChI=1S/C18H25N3/c1-14(16-8-6-7-9-16)20-15(2)17-12-19-21(13-17)18-10-4-3-5-11-18/h3-5,10-16,20H,6-9H2,1-2H3/t14-,15?/m0/s1.
What are the key properties of (1S)-1-cyclopentyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]ethanamine?
(1S)-1-cyclopentyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]ethanamine has a molecular weight of 283.42 g/mol, XLogP of 4.10, 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-(1-phenylpyrazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 81473468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).