1-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone

C18H30N4O — CID 72861224

IUPAC1-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone
SMILESCCc1c(C)nn(CC(=O)N2C[C@H](C3CC3)[C@@H](N(C)C)C2)c1C
InChIInChI=1S/C18H30N4O/c1-6-15-12(2)19-22(13(15)3)11-18(23)21-9-16(14-7-8-14)17(10-21)20(4)5/h14,16-17H,6-11H2,1-5H3/t16-,17+/m1/s1
InChIKeyWEESINHMHABPHH-SJORKVTESA-N
MW318.47 g/mol
LogP1.86
Rot. Bonds5

About 1-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone

1-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone (PubChem CID 72861224) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is 1-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone
PubChem CID72861224
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name1-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone
SMILESCCc1c(C)nn(CC(=O)N2C[C@H](C3CC3)[C@@H](N(C)C)C2)c1C
InChIInChI=1S/C18H30N4O/c1-6-15-12(2)19-22(13(15)3)11-18(23)21-9-16(14-7-8-14)17(10-21)20(4)5/h14,16-17H,6-11H2,1-5H3/t16-,17+/m1/s1
InChIKeyWEESINHMHABPHH-SJORKVTESA-N
XLogP1.86
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(dicyclopropylmethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
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CID 72043904
N-(2-acetamidoethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
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CID 97516891
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(2S)-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone?
The IUPAC name of 1-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone (CID 72861224) is 1-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone is CCc1c(C)nn(CC(=O)N2C[C@H](C3CC3)[C@@H](N(C)C)C2)c1C.
What is the InChIKey of 1-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone?
The InChIKey is WEESINHMHABPHH-SJORKVTESA-N. The full InChI is InChI=1S/C18H30N4O/c1-6-15-12(2)19-22(13(15)3)11-18(23)21-9-16(14-7-8-14)17(10-21)20(4)5/h14,16-17H,6-11H2,1-5H3/t16-,17+/m1/s1.
What are the key properties of 1-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone?
1-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone has a molecular weight of 318.47 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone is sourced from PubChem (CID 72861224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).