(5-ethyl-1-benzofuran-3-yl)-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]methanone

C19H22N4O2 — CID 126827785

IUPAC(5-ethyl-1-benzofuran-3-yl)-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]methanone
SMILESCCc1ccc2occ(C(=O)N3CCN(Cc4cn[nH]c4)CC3)c2c1
InChIInChI=1S/C19H22N4O2/c1-2-14-3-4-18-16(9-14)17(13-25-18)19(24)23-7-5-22(6-8-23)12-15-10-20-21-11-15/h3-4,9-11,13H,2,5-8,12H2,1H3,(H,20,21)
InChIKeyBSLGAYUVNICMCM-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.68
Rot. Bonds4

About (5-ethyl-1-benzofuran-3-yl)-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]methanone

(5-ethyl-1-benzofuran-3-yl)-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]methanone (PubChem CID 126827785) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (5-ethyl-1-benzofuran-3-yl)-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-1-benzofuran-3-yl)-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]methanone
PubChem CID126827785
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(5-ethyl-1-benzofuran-3-yl)-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]methanone
SMILESCCc1ccc2occ(C(=O)N3CCN(Cc4cn[nH]c4)CC3)c2c1
InChIInChI=1S/C19H22N4O2/c1-2-14-3-4-18-16(9-14)17(13-25-18)19(24)23-7-5-22(6-8-23)12-15-10-20-21-11-15/h3-4,9-11,13H,2,5-8,12H2,1H3,(H,20,21)
InChIKeyBSLGAYUVNICMCM-UHFFFAOYSA-N
XLogP2.68
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-ethyl-1-benzofuran-3-carbonyl)-1-(2-methoxyethyl)piperazin-2-one
CID 136542040
(5-ethyl-1-benzofuran-3-yl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 122152358
(5-ethyl-1-benzofuran-3-yl)-[2-(hydroxymethyl)azetidin-1-yl]methanone
CID 136567414
(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]methanone
CID 167829069
[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]methanone
CID 167832385
5-ethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-benzofuran-3-carboxamide
CID 136541811
1H-pyrazol-4-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 60785975
5-ethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-3-carboxamide
CID 100653314
1H-pyrazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 60786486
(6-ethyl-2-methylquinolin-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
CID 118794611
(5-ethyl-1-methylindol-3-yl)-piperazin-1-ylmethanone
CID 95432972
(2-ethylmorpholin-4-yl)-[6-ethyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone
CID 45207187

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1-benzofuran-3-yl)-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (5-ethyl-1-benzofuran-3-yl)-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]methanone (CID 126827785) is (5-ethyl-1-benzofuran-3-yl)-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-ethyl-1-benzofuran-3-yl)-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-ethyl-1-benzofuran-3-yl)-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]methanone is CCc1ccc2occ(C(=O)N3CCN(Cc4cn[nH]c4)CC3)c2c1.
What is the InChIKey of (5-ethyl-1-benzofuran-3-yl)-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is BSLGAYUVNICMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-2-14-3-4-18-16(9-14)17(13-25-18)19(24)23-7-5-22(6-8-23)12-15-10-20-21-11-15/h3-4,9-11,13H,2,5-8,12H2,1H3,(H,20,21).
What are the key properties of (5-ethyl-1-benzofuran-3-yl)-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]methanone?
(5-ethyl-1-benzofuran-3-yl)-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 338.41 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1-benzofuran-3-yl)-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 126827785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).