1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide

C17H20N4O2 — CID 126901064

IUPAC1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(C2CN(CCc3ccc4c(c3)CCO4)C2)c1
InChIInChI=1S/C17H20N4O2/c18-17(22)14-8-19-21(9-14)15-10-20(11-15)5-3-12-1-2-16-13(7-12)4-6-23-16/h1-2,7-9,15H,3-6,10-11H2,(H2,18,22)
InChIKeyYXQIRPKBVMLHHQ-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.02
Rot. Bonds5

About 1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide

1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide (PubChem CID 126901064) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide
PubChem CID126901064
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(C2CN(CCc3ccc4c(c3)CCO4)C2)c1
InChIInChI=1S/C17H20N4O2/c18-17(22)14-8-19-21(9-14)15-10-20(11-15)5-3-12-1-2-16-13(7-12)4-6-23-16/h1-2,7-9,15H,3-6,10-11H2,(H2,18,22)
InChIKeyYXQIRPKBVMLHHQ-UHFFFAOYSA-N
XLogP1.02
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazole-4-carboxamide
CID 146136216
(3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-ol
CID 46220656
1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]ethanone
CID 163350132
4-chloro-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine
CID 65445385
2-[[(4R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-hydroxypyrrolidin-3-yl]-methylamino]acetic acid;hydrochloride
CID 129008187
[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915626
[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrazol-3-yl]methanamine
CID 65447276
3-cyclopropyl-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine
CID 154807715
[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]methanamine
CID 65446119
N-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]acetamide
CID 171130329
[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80506838
2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]ethanol
CID 115665607

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide (CID 126901064) is 1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide is NC(=O)c1cnn(C2CN(CCc3ccc4c(c3)CCO4)C2)c1.
What is the InChIKey of 1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide?
The InChIKey is YXQIRPKBVMLHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c18-17(22)14-8-19-21(9-14)15-10-20(11-15)5-3-12-1-2-16-13(7-12)4-6-23-16/h1-2,7-9,15H,3-6,10-11H2,(H2,18,22).
What are the key properties of 1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide?
1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 126901064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).