N-(1-benzofuran-5-ylmethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine

C19H23N3O — CID 126799695

IUPACN-(1-benzofuran-5-ylmethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine
SMILESCC(C)n1ncc2c1C(NCc1ccc3occc3c1)CCC2
InChIInChI=1S/C19H23N3O/c1-13(2)22-19-16(12-21-22)4-3-5-17(19)20-11-14-6-7-18-15(10-14)8-9-23-18/h6-10,12-13,17,20H,3-5,11H2,1-2H3
InChIKeySLYBVRXDMFVMSW-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.38
Rot. Bonds4

About N-(1-benzofuran-5-ylmethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine

N-(1-benzofuran-5-ylmethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine (PubChem CID 126799695) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(1-benzofuran-5-ylmethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine.

Molecular Properties

Compound NameN-(1-benzofuran-5-ylmethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine
PubChem CID126799695
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-(1-benzofuran-5-ylmethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine
SMILESCC(C)n1ncc2c1C(NCc1ccc3occc3c1)CCC2
InChIInChI=1S/C19H23N3O/c1-13(2)22-19-16(12-21-22)4-3-5-17(19)20-11-14-6-7-18-15(10-14)8-9-23-18/h6-10,12-13,17,20H,3-5,11H2,1-2H3
InChIKeySLYBVRXDMFVMSW-UHFFFAOYSA-N
XLogP4.38
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-5-ylmethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine?
The IUPAC name of N-(1-benzofuran-5-ylmethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine (CID 126799695) is N-(1-benzofuran-5-ylmethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine.
What is the SMILES notation for N-(1-benzofuran-5-ylmethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine?
The canonical SMILES for N-(1-benzofuran-5-ylmethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine is CC(C)n1ncc2c1C(NCc1ccc3occc3c1)CCC2.
What is the InChIKey of N-(1-benzofuran-5-ylmethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine?
The InChIKey is SLYBVRXDMFVMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-13(2)22-19-16(12-21-22)4-3-5-17(19)20-11-14-6-7-18-15(10-14)8-9-23-18/h6-10,12-13,17,20H,3-5,11H2,1-2H3.
What are the key properties of N-(1-benzofuran-5-ylmethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine?
N-(1-benzofuran-5-ylmethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine has a molecular weight of 309.41 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-5-ylmethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine is sourced from PubChem (CID 126799695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).