cyclopentyl-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

C14H21N3O — CID 110269329

IUPACcyclopentyl-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1cn[nH]c1C1CCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C14H21N3O/c1-10-8-15-16-13(10)12-6-7-17(9-12)14(18)11-4-2-3-5-11/h8,11-12H,2-7,9H2,1H3,(H,15,16)
InChIKeyXDUVPYOBAXBWHG-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.22
Rot. Bonds2

About cyclopentyl-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

cyclopentyl-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 110269329) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is cyclopentyl-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID110269329
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Namecyclopentyl-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1cn[nH]c1C1CCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C14H21N3O/c1-10-8-15-16-13(10)12-6-7-17(9-12)14(18)11-4-2-3-5-11/h8,11-12H,2-7,9H2,1H3,(H,15,16)
InChIKeyXDUVPYOBAXBWHG-UHFFFAOYSA-N
XLogP2.22
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (CID 110269329) is cyclopentyl-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is Cc1cn[nH]c1C1CCN(C(=O)C2CCCC2)C1.
What is the InChIKey of cyclopentyl-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is XDUVPYOBAXBWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-8-15-16-13(10)12-6-7-17(9-12)14(18)11-4-2-3-5-11/h8,11-12H,2-7,9H2,1H3,(H,15,16).
What are the key properties of cyclopentyl-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
cyclopentyl-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 247.34 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110269329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).