[(1R,4S)-4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol

C13H21N3O — CID 86787486

IUPAC[(1R,4S)-4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol
SMILESCc1c(C(C)N[C@@H]2C=C[C@H](CO)C2)cnn1C
InChIInChI=1S/C13H21N3O/c1-9(13-7-14-16(3)10(13)2)15-12-5-4-11(6-12)8-17/h4-5,7,9,11-12,15,17H,6,8H2,1-3H3/t9?,11-,12+/m0/s1
InChIKeyOOZVBQWVYCGTEO-CLGJWYQZSA-N
MW235.33 g/mol
LogP1.32
Rot. Bonds4

About [(1R,4S)-4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol

[(1R,4S)-4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol (PubChem CID 86787486) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [(1R,4S)-4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4S)-4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol
PubChem CID86787486
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[(1R,4S)-4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol
SMILESCc1c(C(C)N[C@@H]2C=C[C@H](CO)C2)cnn1C
InChIInChI=1S/C13H21N3O/c1-9(13-7-14-16(3)10(13)2)15-12-5-4-11(6-12)8-17/h4-5,7,9,11-12,15,17H,6,8H2,1-3H3/t9?,11-,12+/m0/s1
InChIKeyOOZVBQWVYCGTEO-CLGJWYQZSA-N
XLogP1.32
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1R,4S)-4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol (CID 86787486) is [(1R,4S)-4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,4S)-4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1R,4S)-4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol is Cc1c(C(C)N[C@@H]2C=C[C@H](CO)C2)cnn1C.
What is the InChIKey of [(1R,4S)-4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol?
The InChIKey is OOZVBQWVYCGTEO-CLGJWYQZSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(13-7-14-16(3)10(13)2)15-12-5-4-11(6-12)8-17/h4-5,7,9,11-12,15,17H,6,8H2,1-3H3/t9?,11-,12+/m0/s1.
What are the key properties of [(1R,4S)-4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol?
[(1R,4S)-4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol has a molecular weight of 235.33 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 86787486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).