(2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide

C18H20N4O2 — CID 125168358

IUPAC(2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCc1cc2cccc(NC(=O)N3CCC[C@H]3Cn3cccn3)c2o1
InChIInChI=1S/C18H20N4O2/c1-13-11-14-5-2-7-16(17(14)24-13)20-18(23)22-10-3-6-15(22)12-21-9-4-8-19-21/h2,4-5,7-9,11,15H,3,6,10,12H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyQBRROUBLKZYHTE-HNNXBMFYSA-N
MW324.38 g/mol
LogP3.63
Rot. Bonds3

About (2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide

(2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 125168358) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID125168358
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name(2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCc1cc2cccc(NC(=O)N3CCC[C@H]3Cn3cccn3)c2o1
InChIInChI=1S/C18H20N4O2/c1-13-11-14-5-2-7-16(17(14)24-13)20-18(23)22-10-3-6-15(22)12-21-9-4-8-19-21/h2,4-5,7-9,11,15H,3,6,10,12H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyQBRROUBLKZYHTE-HNNXBMFYSA-N
XLogP3.63
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118766454
(7-methyl-1-benzofuran-2-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95354054
2-(pyrazol-1-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 118771911
(2R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125169016
(2R)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125178657
(2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125178656
N-(4-butoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118793180
N-(2-benzyl-5-methylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118769035
(2S)-2-(2,5-dimethylfuran-3-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 95602877
3-(2-methylindol-1-yl)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 46996733
N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118772500
2-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 118775432

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide (CID 125168358) is (2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide is Cc1cc2cccc(NC(=O)N3CCC[C@H]3Cn3cccn3)c2o1.
What is the InChIKey of (2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is QBRROUBLKZYHTE-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13-11-14-5-2-7-16(17(14)24-13)20-18(23)22-10-3-6-15(22)12-21-9-4-8-19-21/h2,4-5,7-9,11,15H,3,6,10,12H2,1H3,(H,20,23)/t15-/m0/s1.
What are the key properties of (2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide?
(2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 125168358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).