cyclopent-3-en-1-yl-[(2S,3S)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone

C15H21N3O2 — CID 97392006

IUPACcyclopent-3-en-1-yl-[(2S,3S)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCn1cc(C[C@H]2[C@@H](O)CCN2C(=O)C2CC=CC2)cn1
InChIInChI=1S/C15H21N3O2/c1-17-10-11(9-16-17)8-13-14(19)6-7-18(13)15(20)12-4-2-3-5-12/h2-3,9-10,12-14,19H,4-8H2,1H3/t13-,14-/m0/s1
InChIKeyWCGGNKVCCYUJJC-KBPBESRZSA-N
MW275.35 g/mol
LogP0.89
Rot. Bonds3

About cyclopent-3-en-1-yl-[(2S,3S)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone

cyclopent-3-en-1-yl-[(2S,3S)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 97392006) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[(2S,3S)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-[(2S,3S)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID97392006
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Namecyclopent-3-en-1-yl-[(2S,3S)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCn1cc(C[C@H]2[C@@H](O)CCN2C(=O)C2CC=CC2)cn1
InChIInChI=1S/C15H21N3O2/c1-17-10-11(9-16-17)8-13-14(19)6-7-18(13)15(20)12-4-2-3-5-12/h2-3,9-10,12-14,19H,4-8H2,1H3/t13-,14-/m0/s1
InChIKeyWCGGNKVCCYUJJC-KBPBESRZSA-N
XLogP0.89
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.89
H-Bond Donors ≤ 51
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 cyclopent-3-en-1-yl-[(2S,3S)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopent-3-en-1-yl-[(2S,3S)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone (CID 97392006) is cyclopent-3-en-1-yl-[(2S,3S)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-[(2S,3S)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopent-3-en-1-yl-[(2S,3S)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone is Cn1cc(C[C@H]2[C@@H](O)CCN2C(=O)C2CC=CC2)cn1.
What is the InChIKey of cyclopent-3-en-1-yl-[(2S,3S)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is WCGGNKVCCYUJJC-KBPBESRZSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-17-10-11(9-16-17)8-13-14(19)6-7-18(13)15(20)12-4-2-3-5-12/h2-3,9-10,12-14,19H,4-8H2,1H3/t13-,14-/m0/s1.
What are the key properties of cyclopent-3-en-1-yl-[(2S,3S)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone?
cyclopent-3-en-1-yl-[(2S,3S)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 275.35 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-[(2S,3S)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 97392006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).