(2-methyl-1-benzofuran-5-yl)-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

C17H17N3O2 — CID 124969462

IUPAC(2-methyl-1-benzofuran-5-yl)-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc2cc(C(=O)N3CC[C@@H](c4ccn[nH]4)C3)ccc2o1
InChIInChI=1S/C17H17N3O2/c1-11-8-14-9-12(2-3-16(14)22-11)17(21)20-7-5-13(10-20)15-4-6-18-19-15/h2-4,6,8-9,13H,5,7,10H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyJJCYJNLHBZNOSX-CYBMUJFWSA-N
MW295.34 g/mol
LogP3.09
Rot. Bonds2

About (2-methyl-1-benzofuran-5-yl)-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

(2-methyl-1-benzofuran-5-yl)-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 124969462) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is (2-methyl-1-benzofuran-5-yl)-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-1-benzofuran-5-yl)-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID124969462
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name(2-methyl-1-benzofuran-5-yl)-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc2cc(C(=O)N3CC[C@@H](c4ccn[nH]4)C3)ccc2o1
InChIInChI=1S/C17H17N3O2/c1-11-8-14-9-12(2-3-16(14)22-11)17(21)20-7-5-13(10-20)15-4-6-18-19-15/h2-4,6,8-9,13H,5,7,10H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyJJCYJNLHBZNOSX-CYBMUJFWSA-N
XLogP3.09
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 110259339
6-[(3S)-1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124942458
2H-benzotriazol-5-yl-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 125001721
[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 95841606
6-chloro-3-[3-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]chromen-2-one
CID 171911178
(5-methylfuran-3-yl)-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 136533986
[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 124952781
(2-methyl-1-benzofuran-5-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 72864618
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 95897770
2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124605887
[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 124969122
(2-methyl-1-benzofuran-5-yl)-[3-(6-phenyl-2-pyridinyl)piperidin-1-yl]methanone
CID 110089978

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-benzofuran-5-yl)-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-methyl-1-benzofuran-5-yl)-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (CID 124969462) is (2-methyl-1-benzofuran-5-yl)-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-methyl-1-benzofuran-5-yl)-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-methyl-1-benzofuran-5-yl)-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is Cc1cc2cc(C(=O)N3CC[C@@H](c4ccn[nH]4)C3)ccc2o1.
What is the InChIKey of (2-methyl-1-benzofuran-5-yl)-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is JJCYJNLHBZNOSX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11-8-14-9-12(2-3-16(14)22-11)17(21)20-7-5-13(10-20)15-4-6-18-19-15/h2-4,6,8-9,13H,5,7,10H2,1H3,(H,18,19)/t13-/m1/s1.
What are the key properties of (2-methyl-1-benzofuran-5-yl)-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
(2-methyl-1-benzofuran-5-yl)-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 295.34 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-benzofuran-5-yl)-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124969462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).