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

C18H19N5O — CID 166180902

IUPACN-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCC(Cn1cccn1)NCc1cn[nH]c1-c1cc2ccccc2o1
InChIInChI=1S/C18H19N5O/c1-13(12-23-8-4-7-21-23)19-10-15-11-20-22-18(15)17-9-14-5-2-3-6-16(14)24-17/h2-9,11,13,19H,10,12H2,1H3,(H,20,22)
InChIKeyXYMPNMFJDKSHGS-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.20
Rot. Bonds6

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

N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 166180902) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID166180902
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCC(Cn1cccn1)NCc1cn[nH]c1-c1cc2ccccc2o1
InChIInChI=1S/C18H19N5O/c1-13(12-23-8-4-7-21-23)19-10-15-11-20-22-18(15)17-9-14-5-2-3-6-16(14)24-17/h2-9,11,13,19H,10,12H2,1H3,(H,20,22)
InChIKeyXYMPNMFJDKSHGS-UHFFFAOYSA-N
XLogP3.20
TPSA71.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-pyrazol-1-ylpropan-2-amine?
The IUPAC name of N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine (CID 166180902) is N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine is CC(Cn1cccn1)NCc1cn[nH]c1-c1cc2ccccc2o1.
What is the InChIKey of N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is XYMPNMFJDKSHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-13(12-23-8-4-7-21-23)19-10-15-11-20-22-18(15)17-9-14-5-2-3-6-16(14)24-17/h2-9,11,13,19H,10,12H2,1H3,(H,20,22).
What are the key properties of N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine?
N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 321.38 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 166180902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).