7-bromo-2-methyl-N,N-dipropylindazol-3-amine

C14H20BrN3 — CID 21094617

IUPAC7-bromo-2-methyl-N,N-dipropylindazol-3-amine
SMILESCCCN(CCC)c1c2cccc(Br)c2nn1C
InChIInChI=1S/C14H20BrN3/c1-4-9-18(10-5-2)14-11-7-6-8-12(15)13(11)16-17(14)3/h6-8H,4-5,9-10H2,1-3H3
InChIKeyCYLXJSXWBUADCG-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.96
Rot. Bonds5

About 7-bromo-2-methyl-N,N-dipropylindazol-3-amine

7-bromo-2-methyl-N,N-dipropylindazol-3-amine (PubChem CID 21094617) has the molecular formula C14H20BrN3 and a molecular weight of 310.24 g/mol. Its IUPAC name is 7-bromo-2-methyl-N,N-dipropylindazol-3-amine.

Molecular Properties

Compound Name7-bromo-2-methyl-N,N-dipropylindazol-3-amine
PubChem CID21094617
Molecular FormulaC14H20BrN3
Molecular Weight310.24 g/mol
Exact Mass309.08
IUPAC Name7-bromo-2-methyl-N,N-dipropylindazol-3-amine
SMILESCCCN(CCC)c1c2cccc(Br)c2nn1C
InChIInChI=1S/C14H20BrN3/c1-4-9-18(10-5-2)14-11-7-6-8-12(15)13(11)16-17(14)3/h6-8H,4-5,9-10H2,1-3H3
InChIKeyCYLXJSXWBUADCG-UHFFFAOYSA-N
XLogP3.96
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-methyl-N,N-dipropylindazol-3-amine?
The IUPAC name of 7-bromo-2-methyl-N,N-dipropylindazol-3-amine (CID 21094617) is 7-bromo-2-methyl-N,N-dipropylindazol-3-amine.
What is the SMILES notation for 7-bromo-2-methyl-N,N-dipropylindazol-3-amine?
The canonical SMILES for 7-bromo-2-methyl-N,N-dipropylindazol-3-amine is CCCN(CCC)c1c2cccc(Br)c2nn1C.
What is the InChIKey of 7-bromo-2-methyl-N,N-dipropylindazol-3-amine?
The InChIKey is CYLXJSXWBUADCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3/c1-4-9-18(10-5-2)14-11-7-6-8-12(15)13(11)16-17(14)3/h6-8H,4-5,9-10H2,1-3H3.
What are the key properties of 7-bromo-2-methyl-N,N-dipropylindazol-3-amine?
7-bromo-2-methyl-N,N-dipropylindazol-3-amine has a molecular weight of 310.24 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-methyl-N,N-dipropylindazol-3-amine is sourced from PubChem (CID 21094617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).