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

C15H23N3O2 — CID 97470254

IUPACcyclopentyl-[(2S,3R)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCn1cc(C[C@H]2[C@H](O)CCN2C(=O)C2CCCC2)cn1
InChIInChI=1S/C15H23N3O2/c1-17-10-11(9-16-17)8-13-14(19)6-7-18(13)15(20)12-4-2-3-5-12/h9-10,12-14,19H,2-8H2,1H3/t13-,14+/m0/s1
InChIKeyIOVTWASAYLOXCO-UONOGXRCSA-N
MW277.37 g/mol
LogP1.11
Rot. Bonds3

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

cyclopentyl-[(2S,3R)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 97470254) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is cyclopentyl-[(2S,3R)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[(2S,3R)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID97470254
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Namecyclopentyl-[(2S,3R)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCn1cc(C[C@H]2[C@H](O)CCN2C(=O)C2CCCC2)cn1
InChIInChI=1S/C15H23N3O2/c1-17-10-11(9-16-17)8-13-14(19)6-7-18(13)15(20)12-4-2-3-5-12/h9-10,12-14,19H,2-8H2,1H3/t13-,14+/m0/s1
InChIKeyIOVTWASAYLOXCO-UONOGXRCSA-N
XLogP1.11
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(2S,3R)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[(2S,3R)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone (CID 97470254) is cyclopentyl-[(2S,3R)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[(2S,3R)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[(2S,3R)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone is Cn1cc(C[C@H]2[C@H](O)CCN2C(=O)C2CCCC2)cn1.
What is the InChIKey of cyclopentyl-[(2S,3R)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is IOVTWASAYLOXCO-UONOGXRCSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-17-10-11(9-16-17)8-13-14(19)6-7-18(13)15(20)12-4-2-3-5-12/h9-10,12-14,19H,2-8H2,1H3/t13-,14+/m0/s1.
What are the key properties of cyclopentyl-[(2S,3R)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone?
cyclopentyl-[(2S,3R)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 277.37 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(2S,3R)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 97470254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).