N-[(2-indazol-1-ylphenyl)methyl]cyclopropanamine

C17H17N3 — CID 62141701

IUPACN-[(2-indazol-1-ylphenyl)methyl]cyclopropanamine
SMILESc1ccc(-n2ncc3ccccc32)c(CNC2CC2)c1
InChIInChI=1S/C17H17N3/c1-3-7-16(13(5-1)11-18-15-9-10-15)20-17-8-4-2-6-14(17)12-19-20/h1-8,12,15,18H,9-11H2
InChIKeyOBHLOMPYVWBQBD-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.28
Rot. Bonds4

About N-[(2-indazol-1-ylphenyl)methyl]cyclopropanamine

N-[(2-indazol-1-ylphenyl)methyl]cyclopropanamine (PubChem CID 62141701) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(2-indazol-1-ylphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-indazol-1-ylphenyl)methyl]cyclopropanamine
PubChem CID62141701
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC NameN-[(2-indazol-1-ylphenyl)methyl]cyclopropanamine
SMILESc1ccc(-n2ncc3ccccc32)c(CNC2CC2)c1
InChIInChI=1S/C17H17N3/c1-3-7-16(13(5-1)11-18-15-9-10-15)20-17-8-4-2-6-14(17)12-19-20/h1-8,12,15,18H,9-11H2
InChIKeyOBHLOMPYVWBQBD-UHFFFAOYSA-N
XLogP3.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-indazol-1-ylphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-indazol-1-ylphenyl)methyl]cyclopropanamine (CID 62141701) is N-[(2-indazol-1-ylphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-indazol-1-ylphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-indazol-1-ylphenyl)methyl]cyclopropanamine is c1ccc(-n2ncc3ccccc32)c(CNC2CC2)c1.
What is the InChIKey of N-[(2-indazol-1-ylphenyl)methyl]cyclopropanamine?
The InChIKey is OBHLOMPYVWBQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-3-7-16(13(5-1)11-18-15-9-10-15)20-17-8-4-2-6-14(17)12-19-20/h1-8,12,15,18H,9-11H2.
What are the key properties of N-[(2-indazol-1-ylphenyl)methyl]cyclopropanamine?
N-[(2-indazol-1-ylphenyl)methyl]cyclopropanamine has a molecular weight of 263.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-indazol-1-ylphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 62141701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).