(2S)-N-(2-methoxydibenzofuran-3-yl)-2-(1H-pyrazol-5-yl)pyrrolidine-1-carboxamide

C21H20N4O3 — CID 100763942

IUPAC(2S)-N-(2-methoxydibenzofuran-3-yl)-2-(1H-pyrazol-5-yl)pyrrolidine-1-carboxamide
SMILESCOc1cc2c(cc1NC(=O)N1CCC[C@H]1c1ccn[nH]1)oc1ccccc12
InChIInChI=1S/C21H20N4O3/c1-27-20-11-14-13-5-2-3-7-18(13)28-19(14)12-16(20)23-21(26)25-10-4-6-17(25)15-8-9-22-24-15/h2-3,5,7-9,11-12,17H,4,6,10H2,1H3,(H,22,24)(H,23,26)/t17-/m0/s1
InChIKeyJZPBLJLIGXAYGZ-KRWDZBQOSA-N
MW376.42 g/mol
LogP4.69
Rot. Bonds3

About (2S)-N-(2-methoxydibenzofuran-3-yl)-2-(1H-pyrazol-5-yl)pyrrolidine-1-carboxamide

(2S)-N-(2-methoxydibenzofuran-3-yl)-2-(1H-pyrazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 100763942) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is (2S)-N-(2-methoxydibenzofuran-3-yl)-2-(1H-pyrazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxydibenzofuran-3-yl)-2-(1H-pyrazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID100763942
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name(2S)-N-(2-methoxydibenzofuran-3-yl)-2-(1H-pyrazol-5-yl)pyrrolidine-1-carboxamide
SMILESCOc1cc2c(cc1NC(=O)N1CCC[C@H]1c1ccn[nH]1)oc1ccccc12
InChIInChI=1S/C21H20N4O3/c1-27-20-11-14-13-5-2-3-7-18(13)28-19(14)12-16(20)23-21(26)25-10-4-6-17(25)15-8-9-22-24-15/h2-3,5,7-9,11-12,17H,4,6,10H2,1H3,(H,22,24)(H,23,26)/t17-/m0/s1
InChIKeyJZPBLJLIGXAYGZ-KRWDZBQOSA-N
XLogP4.69
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-1-[(2-methoxydibenzofuran-3-yl)carbamoyl]pyrrolidine-2-carboxylate
CID 11874668
N-(2-methoxydibenzofuran-3-yl)-2-piperidin-1-ylacetamide
CID 2697422
N-(2-methoxydibenzofuran-3-yl)-2-(3-methylpiperidin-1-yl)acetamide
CID 4824461
(2S)-N-(2-methoxydibenzofuran-3-yl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 11944089
N-(2-methoxydibenzofuran-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2419747
2-hydroxy-N-(2-methoxydibenzofuran-3-yl)cyclopentane-1-carboxamide
CID 110013791
(2S)-N-(2-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide
CID 25166096
N-(2-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide
CID 68603513
N-(2-methoxydibenzofuran-3-yl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 112773677
N-(2-methoxydibenzofuran-3-yl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide
CID 119037539
(3S)-N-(2-methoxydibenzofuran-3-yl)-3-(2-methylpropyl)morpholine-4-carboxamide
CID 96546401
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 23885019

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxydibenzofuran-3-yl)-2-(1H-pyrazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(2-methoxydibenzofuran-3-yl)-2-(1H-pyrazol-5-yl)pyrrolidine-1-carboxamide (CID 100763942) is (2S)-N-(2-methoxydibenzofuran-3-yl)-2-(1H-pyrazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(2-methoxydibenzofuran-3-yl)-2-(1H-pyrazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(2-methoxydibenzofuran-3-yl)-2-(1H-pyrazol-5-yl)pyrrolidine-1-carboxamide is COc1cc2c(cc1NC(=O)N1CCC[C@H]1c1ccn[nH]1)oc1ccccc12.
What is the InChIKey of (2S)-N-(2-methoxydibenzofuran-3-yl)-2-(1H-pyrazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is JZPBLJLIGXAYGZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-27-20-11-14-13-5-2-3-7-18(13)28-19(14)12-16(20)23-21(26)25-10-4-6-17(25)15-8-9-22-24-15/h2-3,5,7-9,11-12,17H,4,6,10H2,1H3,(H,22,24)(H,23,26)/t17-/m0/s1.
What are the key properties of (2S)-N-(2-methoxydibenzofuran-3-yl)-2-(1H-pyrazol-5-yl)pyrrolidine-1-carboxamide?
(2S)-N-(2-methoxydibenzofuran-3-yl)-2-(1H-pyrazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxydibenzofuran-3-yl)-2-(1H-pyrazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 100763942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).