1-N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine

C18H24N4O — CID 47610532

IUPAC1-N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)CNCc1cn[nH]c1-c1cc2ccccc2o1
InChIInChI=1S/C18H24N4O/c1-18(2,22(3)4)12-19-10-14-11-20-21-17(14)16-9-13-7-5-6-8-15(13)23-16/h5-9,11,19H,10,12H2,1-4H3,(H,20,21)
InChIKeyZYMGTYVHOFZOSB-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.25
Rot. Bonds6

About 1-N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine

1-N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 47610532) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID47610532
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)CNCc1cn[nH]c1-c1cc2ccccc2o1
InChIInChI=1S/C18H24N4O/c1-18(2,22(3)4)12-19-10-14-11-20-21-17(14)16-9-13-7-5-6-8-15(13)23-16/h5-9,11,19H,10,12H2,1-4H3,(H,20,21)
InChIKeyZYMGTYVHOFZOSB-UHFFFAOYSA-N
XLogP3.25
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 47610532) is 1-N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine is CN(C)C(C)(C)CNCc1cn[nH]c1-c1cc2ccccc2o1.
What is the InChIKey of 1-N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is ZYMGTYVHOFZOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-18(2,22(3)4)12-19-10-14-11-20-21-17(14)16-9-13-7-5-6-8-15(13)23-16/h5-9,11,19H,10,12H2,1-4H3,(H,20,21).
What are the key properties of 1-N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 312.42 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 47610532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).