N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine

C19H24N4O — CID 47611512

IUPACN-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine
SMILESCCN1CCC(NCc2cn[nH]c2-c2cc3ccccc3o2)CC1
InChIInChI=1S/C19H24N4O/c1-2-23-9-7-16(8-10-23)20-12-15-13-21-22-19(15)18-11-14-5-3-4-6-17(14)24-18/h3-6,11,13,16,20H,2,7-10,12H2,1H3,(H,21,22)
InChIKeyGJFKIKYNKPBSRH-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.40
Rot. Bonds5

About N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine

N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine (PubChem CID 47611512) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine
PubChem CID47611512
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine
SMILESCCN1CCC(NCc2cn[nH]c2-c2cc3ccccc3o2)CC1
InChIInChI=1S/C19H24N4O/c1-2-23-9-7-16(8-10-23)20-12-15-13-21-22-19(15)18-11-14-5-3-4-6-17(14)24-18/h3-6,11,13,16,20H,2,7-10,12H2,1H3,(H,21,22)
InChIKeyGJFKIKYNKPBSRH-UHFFFAOYSA-N
XLogP3.40
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine?
The IUPAC name of N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine (CID 47611512) is N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine.
What is the SMILES notation for N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine?
The canonical SMILES for N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine is CCN1CCC(NCc2cn[nH]c2-c2cc3ccccc3o2)CC1.
What is the InChIKey of N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine?
The InChIKey is GJFKIKYNKPBSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-2-23-9-7-16(8-10-23)20-12-15-13-21-22-19(15)18-11-14-5-3-4-6-17(14)24-18/h3-6,11,13,16,20H,2,7-10,12H2,1H3,(H,21,22).
What are the key properties of N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine?
N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine has a molecular weight of 324.43 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine is sourced from PubChem (CID 47611512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).