(1-cyclopentyl-5-methylpyrazol-4-yl)-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]methanone

C18H30N4O — CID 167946154

IUPAC(1-cyclopentyl-5-methylpyrazol-4-yl)-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC(CCN(C)C)C2)cnn1C1CCCC1
InChIInChI=1S/C18H30N4O/c1-14-17(12-19-22(14)16-6-4-5-7-16)18(23)21-11-9-15(13-21)8-10-20(2)3/h12,15-16H,4-11,13H2,1-3H3
InChIKeyODSNZYHJSPXUFO-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.72
Rot. Bonds5

About (1-cyclopentyl-5-methylpyrazol-4-yl)-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]methanone

(1-cyclopentyl-5-methylpyrazol-4-yl)-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]methanone (PubChem CID 167946154) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is (1-cyclopentyl-5-methylpyrazol-4-yl)-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-cyclopentyl-5-methylpyrazol-4-yl)-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]methanone
PubChem CID167946154
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name(1-cyclopentyl-5-methylpyrazol-4-yl)-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC(CCN(C)C)C2)cnn1C1CCCC1
InChIInChI=1S/C18H30N4O/c1-14-17(12-19-22(14)16-6-4-5-7-16)18(23)21-11-9-15(13-21)8-10-20(2)3/h12,15-16H,4-11,13H2,1-3H3
InChIKeyODSNZYHJSPXUFO-UHFFFAOYSA-N
XLogP2.72
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide
CID 126776876
2-[1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)azetidin-3-yl]acetonitrile
CID 146107759
[3-(2-aminoethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 63767651
(1-cyclohexyl-5-methylpyrazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 128988276
[(3S)-3-[2-(dimethylamino)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95828473
[4-(1-cyclohexylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-(1-cyclopentyl-5-methylpyrazol-4-yl)methanone
CID 166343622
[4-[(1-tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-(1-cyclopentyl-5-methylpyrazol-4-yl)methanone
CID 126771221
(3S)-1-[1-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazole-4-carbonyl]pyrrolidine-3-carboxamide
CID 95577778
(1-cyclopentyl-5-methylpyrazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone
CID 126784537
1-cyclopentyl-N-(1-cyclopentylethyl)-5-methylpyrazole-4-carboxamide
CID 126786160
3-[1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid
CID 120536660
(1-cyclohexyl-5-methylpyrazol-4-yl)-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone
CID 166241214

Frequently Asked Questions

What is the IUPAC name of (1-cyclopentyl-5-methylpyrazol-4-yl)-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (1-cyclopentyl-5-methylpyrazol-4-yl)-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]methanone (CID 167946154) is (1-cyclopentyl-5-methylpyrazol-4-yl)-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-cyclopentyl-5-methylpyrazol-4-yl)-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-cyclopentyl-5-methylpyrazol-4-yl)-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]methanone is Cc1c(C(=O)N2CCC(CCN(C)C)C2)cnn1C1CCCC1.
What is the InChIKey of (1-cyclopentyl-5-methylpyrazol-4-yl)-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]methanone?
The InChIKey is ODSNZYHJSPXUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-14-17(12-19-22(14)16-6-4-5-7-16)18(23)21-11-9-15(13-21)8-10-20(2)3/h12,15-16H,4-11,13H2,1-3H3.
What are the key properties of (1-cyclopentyl-5-methylpyrazol-4-yl)-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]methanone?
(1-cyclopentyl-5-methylpyrazol-4-yl)-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]methanone has a molecular weight of 318.46 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopentyl-5-methylpyrazol-4-yl)-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 167946154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).