(1-ethyl-3,5-dimethylpyrazol-4-yl)-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

C18H30N4O — CID 95291291

IUPAC(1-ethyl-3,5-dimethylpyrazol-4-yl)-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1c(C)nn(CC)c1C
InChIInChI=1S/C18H30N4O/c1-5-20-11-7-9-15(20)16-10-8-12-21(16)18(23)17-13(3)19-22(6-2)14(17)4/h15-16H,5-12H2,1-4H3/t15-,16+/m0/s1
InChIKeyJEEMYDXPLXRQFC-JKSUJKDBSA-N
MW318.47 g/mol
LogP2.61
Rot. Bonds4

About (1-ethyl-3,5-dimethylpyrazol-4-yl)-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

(1-ethyl-3,5-dimethylpyrazol-4-yl)-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 95291291) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is (1-ethyl-3,5-dimethylpyrazol-4-yl)-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethyl-3,5-dimethylpyrazol-4-yl)-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
PubChem CID95291291
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name(1-ethyl-3,5-dimethylpyrazol-4-yl)-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1c(C)nn(CC)c1C
InChIInChI=1S/C18H30N4O/c1-5-20-11-7-9-15(20)16-10-8-12-21(16)18(23)17-13(3)19-22(6-2)14(17)4/h15-16H,5-12H2,1-4H3/t15-,16+/m0/s1
InChIKeyJEEMYDXPLXRQFC-JKSUJKDBSA-N
XLogP2.61
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3,5-dimethylpyrazol-4-yl)-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (1-ethyl-3,5-dimethylpyrazol-4-yl)-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (CID 95291291) is (1-ethyl-3,5-dimethylpyrazol-4-yl)-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-ethyl-3,5-dimethylpyrazol-4-yl)-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-ethyl-3,5-dimethylpyrazol-4-yl)-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is CCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1c(C)nn(CC)c1C.
What is the InChIKey of (1-ethyl-3,5-dimethylpyrazol-4-yl)-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is JEEMYDXPLXRQFC-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H30N4O/c1-5-20-11-7-9-15(20)16-10-8-12-21(16)18(23)17-13(3)19-22(6-2)14(17)4/h15-16H,5-12H2,1-4H3/t15-,16+/m0/s1.
What are the key properties of (1-ethyl-3,5-dimethylpyrazol-4-yl)-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
(1-ethyl-3,5-dimethylpyrazol-4-yl)-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 318.47 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3,5-dimethylpyrazol-4-yl)-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95291291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).