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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Related Compounds

4-(2-amino-2-oxoethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-carboxamide
CID 53510163
pyrrolidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
CID 71920572
1-{2-[3-(1H-Pyrazol-3-YL)piperidin-1-YL]ethyl}pyrrolidin-2-one
CID 72153927
cyclobutyl-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 73439424
1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 110256008
2-cyclopentyl-1-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 110270853
1-[4-oxo-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butyl]pyrrolidin-2-one
CID 110270976
[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 110271074
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 118740394
3-amino-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
CID 54593500
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 71866632
N-(2,2-dimethylpropyl)-N-methyl-5-propyl-1H-pyrazole-4-carboxamide
CID 91648947

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).