5-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrazolidine-3-carboxamide

C16H20N6O2 — CID 133108811

IUPAC5-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrazolidine-3-carboxamide
SMILESCCc1nc(NC(=O)C2CC(c3ccc4c(c3)CCO4)NN2)n[nH]1
InChIInChI=1S/C16H20N6O2/c1-2-14-17-16(22-21-14)18-15(23)12-8-11(19-20-12)9-3-4-13-10(7-9)5-6-24-13/h3-4,7,11-12,19-20H,2,5-6,8H2,1H3,(H2,17,18,21,22,23)
InChIKeyDXFGGHZZQLSHEJ-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.85
Rot. Bonds4

About 5-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrazolidine-3-carboxamide

5-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrazolidine-3-carboxamide (PubChem CID 133108811) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrazolidine-3-carboxamide
PubChem CID133108811
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name5-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrazolidine-3-carboxamide
SMILESCCc1nc(NC(=O)C2CC(c3ccc4c(c3)CCO4)NN2)n[nH]1
InChIInChI=1S/C16H20N6O2/c1-2-14-17-16(22-21-14)18-15(23)12-8-11(19-20-12)9-3-4-13-10(7-9)5-6-24-13/h3-4,7,11-12,19-20H,2,5-6,8H2,1H3,(H2,17,18,21,22,23)
InChIKeyDXFGGHZZQLSHEJ-UHFFFAOYSA-N
XLogP0.85
TPSA103.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,3-dihydro-1-benzofuran-5-yl)-N-pyridin-3-ylpyrazolidine-3-carboxamide
CID 134086325
5-(2,3-dihydro-1-benzofuran-5-yl)pyrazolidin-3-amine
CID 76936947
methyl 3-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2,5-dihydro-1,3-thiazole-4-carbonyl]amino]-1H-1,2,4-triazole-5-carboxylate
CID 123634450
5-(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-3-carboxamide
CID 52978372
2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxylic acid
CID 43810297
4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethylimidazolidin-2-one
CID 116981042
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfonyl]-5-ethyl-1H-1,2,4-triazole
CID 167944136
N-(4-ethyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 104621139
methyl N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-2-oxoethyl]-2,3-dihydro-1-benzofuran-5-carboximidothioate
CID 144760912
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)azetidine;hydrochloride
CID 171196730
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2,5-dihydro-1,3-thiazole-4-carboxamide
CID 123309498
5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(4-ethylphenyl)pyrazolidine-3-carboxamide
CID 75543296

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrazolidine-3-carboxamide?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrazolidine-3-carboxamide (CID 133108811) is 5-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrazolidine-3-carboxamide is CCc1nc(NC(=O)C2CC(c3ccc4c(c3)CCO4)NN2)n[nH]1.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrazolidine-3-carboxamide?
The InChIKey is DXFGGHZZQLSHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-2-14-17-16(22-21-14)18-15(23)12-8-11(19-20-12)9-3-4-13-10(7-9)5-6-24-13/h3-4,7,11-12,19-20H,2,5-6,8H2,1H3,(H2,17,18,21,22,23).
What are the key properties of 5-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrazolidine-3-carboxamide?
5-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrazolidine-3-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 0.85, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 133108811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).