N-[2-(4-methoxy-2H-indazol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine

C16H25N3O — CID 168946650

IUPACN-[2-(4-methoxy-2H-indazol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine
SMILESCOc1cccc2n[nH]c(CCN(C(C)C)C(C)C)c12
InChIInChI=1S/C16H25N3O/c1-11(2)19(12(3)4)10-9-14-16-13(17-18-14)7-6-8-15(16)20-5/h6-8,11-12H,9-10H2,1-5H3,(H,17,18)
InChIKeyPJMBUENMWURMSV-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.23
Rot. Bonds6

About N-[2-(4-methoxy-2H-indazol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine

N-[2-(4-methoxy-2H-indazol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 168946650) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[2-(4-methoxy-2H-indazol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(4-methoxy-2H-indazol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID168946650
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[2-(4-methoxy-2H-indazol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine
SMILESCOc1cccc2n[nH]c(CCN(C(C)C)C(C)C)c12
InChIInChI=1S/C16H25N3O/c1-11(2)19(12(3)4)10-9-14-16-13(17-18-14)7-6-8-15(16)20-5/h6-8,11-12H,9-10H2,1-5H3,(H,17,18)
InChIKeyPJMBUENMWURMSV-UHFFFAOYSA-N
XLogP3.23
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxy-2H-indazol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-(4-methoxy-2H-indazol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine (CID 168946650) is N-[2-(4-methoxy-2H-indazol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-(4-methoxy-2H-indazol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-(4-methoxy-2H-indazol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine is COc1cccc2n[nH]c(CCN(C(C)C)C(C)C)c12.
What is the InChIKey of N-[2-(4-methoxy-2H-indazol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is PJMBUENMWURMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11(2)19(12(3)4)10-9-14-16-13(17-18-14)7-6-8-15(16)20-5/h6-8,11-12H,9-10H2,1-5H3,(H,17,18).
What are the key properties of N-[2-(4-methoxy-2H-indazol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine?
N-[2-(4-methoxy-2H-indazol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 275.40 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxy-2H-indazol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 168946650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).