[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(5-ethyl-1-benzofuran-3-yl)methanone

C18H20N4O2 — CID 154789366

IUPAC[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(5-ethyl-1-benzofuran-3-yl)methanone
SMILESCCc1ccc2occ(C(=O)N3CCC(c4[nH]ncc4N)C3)c2c1
InChIInChI=1S/C18H20N4O2/c1-2-11-3-4-16-13(7-11)14(10-24-16)18(23)22-6-5-12(9-22)17-15(19)8-20-21-17/h3-4,7-8,10,12H,2,5-6,9,19H2,1H3,(H,20,21)
InChIKeyQPUIPTVHFKEQOF-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.93
Rot. Bonds3

About [3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(5-ethyl-1-benzofuran-3-yl)methanone

[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(5-ethyl-1-benzofuran-3-yl)methanone (PubChem CID 154789366) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is [3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(5-ethyl-1-benzofuran-3-yl)methanone.

Molecular Properties

Compound Name[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(5-ethyl-1-benzofuran-3-yl)methanone
PubChem CID154789366
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(5-ethyl-1-benzofuran-3-yl)methanone
SMILESCCc1ccc2occ(C(=O)N3CCC(c4[nH]ncc4N)C3)c2c1
InChIInChI=1S/C18H20N4O2/c1-2-11-3-4-16-13(7-11)14(10-24-16)18(23)22-6-5-12(9-22)17-15(19)8-20-21-17/h3-4,7-8,10,12H,2,5-6,9,19H2,1H3,(H,20,21)
InChIKeyQPUIPTVHFKEQOF-UHFFFAOYSA-N
XLogP2.93
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-ethyl-1-benzofuran-3-yl)-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]methanone
CID 126827785
[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-3-yl)methanone
CID 154768094
(5-ethyl-1-benzofuran-3-yl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 122152358
1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 154787522
(5-ethyl-1-benzofuran-3-yl)-[2-(hydroxymethyl)azetidin-1-yl]methanone
CID 136567414
[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-[4-(oxan-4-yl)phenyl]methanone
CID 154785572
5-ethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-benzofuran-3-carboxamide
CID 136541811
ethyl 5-[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxylate
CID 126831834
4-(5-ethyl-1-benzofuran-3-carbonyl)-1-(2-methoxyethyl)piperazin-2-one
CID 136542040
(E)-1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)but-2-en-1-one
CID 167980851
1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-3-(2-methylphenoxy)propan-1-one
CID 154783622
[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 95212418

Frequently Asked Questions

What is the IUPAC name of [3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(5-ethyl-1-benzofuran-3-yl)methanone?
The IUPAC name of [3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(5-ethyl-1-benzofuran-3-yl)methanone (CID 154789366) is [3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(5-ethyl-1-benzofuran-3-yl)methanone.
What is the SMILES notation for [3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(5-ethyl-1-benzofuran-3-yl)methanone?
The canonical SMILES for [3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(5-ethyl-1-benzofuran-3-yl)methanone is CCc1ccc2occ(C(=O)N3CCC(c4[nH]ncc4N)C3)c2c1.
What is the InChIKey of [3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(5-ethyl-1-benzofuran-3-yl)methanone?
The InChIKey is QPUIPTVHFKEQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-2-11-3-4-16-13(7-11)14(10-24-16)18(23)22-6-5-12(9-22)17-15(19)8-20-21-17/h3-4,7-8,10,12H,2,5-6,9,19H2,1H3,(H,20,21).
What are the key properties of [3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(5-ethyl-1-benzofuran-3-yl)methanone?
[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(5-ethyl-1-benzofuran-3-yl)methanone has a molecular weight of 324.38 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(5-ethyl-1-benzofuran-3-yl)methanone is sourced from PubChem (CID 154789366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).