(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine

C16H20BrN3 — CID 105042167

IUPAC(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine
SMILESCC(C)n1ncc(Br)c1C(N)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H20BrN3/c1-10(2)20-16(14(17)9-19-20)15(18)13-7-6-11-4-3-5-12(11)8-13/h6-10,15H,3-5,18H2,1-2H3
InChIKeySZCHHAHMKDQNOX-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.76
Rot. Bonds3

About (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine (PubChem CID 105042167) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine
PubChem CID105042167
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine
SMILESCC(C)n1ncc(Br)c1C(N)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H20BrN3/c1-10(2)20-16(14(17)9-19-20)15(18)13-7-6-11-4-3-5-12(11)8-13/h6-10,15H,3-5,18H2,1-2H3
InChIKeySZCHHAHMKDQNOX-UHFFFAOYSA-N
XLogP3.76
TPSA43.84 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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine with MolForge

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Related Compounds

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 105041746
(4-bromo-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 105041328
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-chlorophenyl)methanamine
CID 114646500
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 105042056
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine
CID 114659170
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-chloro-5-methylphenyl)methanamine
CID 105042392
2,3-dihydro-1H-inden-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43115552
(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 105042598
(3-bromo-4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 81471918
(2-bromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43115600
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-bromothiophen-2-yl)methanamine
CID 105042373
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylphenyl)methanamine
CID 114646764

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine (CID 105042167) is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine.
What is the SMILES notation for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The canonical SMILES for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine is CC(C)n1ncc(Br)c1C(N)c1ccc2c(c1)CCC2.
What is the InChIKey of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The InChIKey is SZCHHAHMKDQNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-10(2)20-16(14(17)9-19-20)15(18)13-7-6-11-4-3-5-12(11)8-13/h6-10,15H,3-5,18H2,1-2H3.
What are the key properties of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine has a molecular weight of 334.26 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine is sourced from PubChem (CID 105042167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).