N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-benzofuran-3-carboxamide

C19H22N4O2 — CID 126775005

IUPACN-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-benzofuran-3-carboxamide
SMILESCCN1CCC(n2nccc2NC(=O)c2coc3ccccc23)CC1
InChIInChI=1S/C19H22N4O2/c1-2-22-11-8-14(9-12-22)23-18(7-10-20-23)21-19(24)16-13-25-17-6-4-3-5-15(16)17/h3-7,10,13-14H,2,8-9,11-12H2,1H3,(H,21,24)
InChIKeyJQFQAFZBRWKJBB-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.54
Rot. Bonds4

About N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-benzofuran-3-carboxamide

N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-benzofuran-3-carboxamide (PubChem CID 126775005) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-benzofuran-3-carboxamide
PubChem CID126775005
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-benzofuran-3-carboxamide
SMILESCCN1CCC(n2nccc2NC(=O)c2coc3ccccc23)CC1
InChIInChI=1S/C19H22N4O2/c1-2-22-11-8-14(9-12-22)23-18(7-10-20-23)21-19(24)16-13-25-17-6-4-3-5-15(16)17/h3-7,10,13-14H,2,8-9,11-12H2,1H3,(H,21,24)
InChIKeyJQFQAFZBRWKJBB-UHFFFAOYSA-N
XLogP3.54
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-benzofuran-3-carboxamide?
The IUPAC name of N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-benzofuran-3-carboxamide (CID 126775005) is N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-benzofuran-3-carboxamide is CCN1CCC(n2nccc2NC(=O)c2coc3ccccc23)CC1.
What is the InChIKey of N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-benzofuran-3-carboxamide?
The InChIKey is JQFQAFZBRWKJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-2-22-11-8-14(9-12-22)23-18(7-10-20-23)21-19(24)16-13-25-17-6-4-3-5-15(16)17/h3-7,10,13-14H,2,8-9,11-12H2,1H3,(H,21,24).
What are the key properties of N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-benzofuran-3-carboxamide?
N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-benzofuran-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 126775005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).