1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propan-2-ol

C15H17N3O2 — CID 47610184

IUPAC1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propan-2-ol
SMILESCC(O)CNCc1cn[nH]c1-c1cc2ccccc2o1
InChIInChI=1S/C15H17N3O2/c1-10(19)7-16-8-12-9-17-18-15(12)14-6-11-4-2-3-5-13(11)20-14/h2-6,9-10,16,19H,7-8H2,1H3,(H,17,18)
InChIKeySYIAVVVMIRJGCO-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.29
Rot. Bonds5

About 1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propan-2-ol

1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propan-2-ol (PubChem CID 47610184) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propan-2-ol
PubChem CID47610184
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propan-2-ol
SMILESCC(O)CNCc1cn[nH]c1-c1cc2ccccc2o1
InChIInChI=1S/C15H17N3O2/c1-10(19)7-16-8-12-9-17-18-15(12)14-6-11-4-2-3-5-13(11)20-14/h2-6,9-10,16,19H,7-8H2,1H3,(H,17,18)
InChIKeySYIAVVVMIRJGCO-UHFFFAOYSA-N
XLogP2.29
TPSA74.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propan-2-ol?
The IUPAC name of 1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propan-2-ol (CID 47610184) is 1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propan-2-ol.
What is the SMILES notation for 1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propan-2-ol?
The canonical SMILES for 1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propan-2-ol is CC(O)CNCc1cn[nH]c1-c1cc2ccccc2o1.
What is the InChIKey of 1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propan-2-ol?
The InChIKey is SYIAVVVMIRJGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10(19)7-16-8-12-9-17-18-15(12)14-6-11-4-2-3-5-13(11)20-14/h2-6,9-10,16,19H,7-8H2,1H3,(H,17,18).
What are the key properties of 1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propan-2-ol?
1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propan-2-ol has a molecular weight of 271.32 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propan-2-ol is sourced from PubChem (CID 47610184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).