N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-propan-2-ylpyrazol-4-amine

C16H20BrN3 — CID 63627298

IUPACN-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-propan-2-ylpyrazol-4-amine
SMILESCC(C)n1cc(NC2CCc3cc(Br)ccc3C2)cn1
InChIInChI=1S/C16H20BrN3/c1-11(2)20-10-16(9-18-20)19-15-6-4-12-7-14(17)5-3-13(12)8-15/h3,5,7,9-11,15,19H,4,6,8H2,1-2H3
InChIKeyQDUYWWHFHJZBJE-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.20
Rot. Bonds3

About N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-propan-2-ylpyrazol-4-amine

N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-propan-2-ylpyrazol-4-amine (PubChem CID 63627298) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-propan-2-ylpyrazol-4-amine
PubChem CID63627298
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC NameN-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-propan-2-ylpyrazol-4-amine
SMILESCC(C)n1cc(NC2CCc3cc(Br)ccc3C2)cn1
InChIInChI=1S/C16H20BrN3/c1-11(2)20-10-16(9-18-20)19-15-6-4-12-7-14(17)5-3-13(12)8-15/h3,5,7,9-11,15,19H,4,6,8H2,1-2H3
InChIKeyQDUYWWHFHJZBJE-UHFFFAOYSA-N
XLogP4.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-propan-2-ylpyrazol-4-amine (CID 63627298) is N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-propan-2-ylpyrazol-4-amine is CC(C)n1cc(NC2CCc3cc(Br)ccc3C2)cn1.
What is the InChIKey of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-propan-2-ylpyrazol-4-amine?
The InChIKey is QDUYWWHFHJZBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-11(2)20-10-16(9-18-20)19-15-6-4-12-7-14(17)5-3-13(12)8-15/h3,5,7,9-11,15,19H,4,6,8H2,1-2H3.
What are the key properties of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-propan-2-ylpyrazol-4-amine?
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-propan-2-ylpyrazol-4-amine has a molecular weight of 334.26 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 63627298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).