(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-chlorophenyl)methanamine

C13H15BrClN3 — CID 114646500

IUPAC(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-chlorophenyl)methanamine
SMILESCC(C)n1ncc(Br)c1C(N)c1cccc(Cl)c1
InChIInChI=1S/C13H15BrClN3/c1-8(2)18-13(11(14)7-17-18)12(16)9-4-3-5-10(15)6-9/h3-8,12H,16H2,1-2H3
InChIKeyZOBGNWMNUFDPDM-UHFFFAOYSA-N
MW328.64 g/mol
LogP3.93
Rot. Bonds3

About (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-chlorophenyl)methanamine

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-chlorophenyl)methanamine (PubChem CID 114646500) has the molecular formula C13H15BrClN3 and a molecular weight of 328.64 g/mol. Its IUPAC name is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-chlorophenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-chlorophenyl)methanamine
PubChem CID114646500
Molecular FormulaC13H15BrClN3
Molecular Weight328.64 g/mol
Exact Mass327.01
IUPAC Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-chlorophenyl)methanamine
SMILESCC(C)n1ncc(Br)c1C(N)c1cccc(Cl)c1
InChIInChI=1S/C13H15BrClN3/c1-8(2)18-13(11(14)7-17-18)12(16)9-4-3-5-10(15)6-9/h3-8,12H,16H2,1-2H3
InChIKeyZOBGNWMNUFDPDM-UHFFFAOYSA-N
XLogP3.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.64
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-chloro-5-methylphenyl)methanamine
CID 105042392
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(3-chlorophenyl)sulfanylethanamine
CID 114656252
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 105042056
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 105042167
(3-bromo-4-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 105041750
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine
CID 114659170
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylphenyl)methanamine
CID 114646764
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanol
CID 115835323
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2-fluorophenyl)methyl]hydrazine
CID 105217795
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanamine
CID 105042180
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methylsulfonylphenyl)methanamine
CID 105041737
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylphenyl)methyl]hydrazine
CID 105200630

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-chlorophenyl)methanamine?
The IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-chlorophenyl)methanamine (CID 114646500) is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-chlorophenyl)methanamine.
What is the SMILES notation for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-chlorophenyl)methanamine?
The canonical SMILES for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-chlorophenyl)methanamine is CC(C)n1ncc(Br)c1C(N)c1cccc(Cl)c1.
What is the InChIKey of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-chlorophenyl)methanamine?
The InChIKey is ZOBGNWMNUFDPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3/c1-8(2)18-13(11(14)7-17-18)12(16)9-4-3-5-10(15)6-9/h3-8,12H,16H2,1-2H3.
What are the key properties of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-chlorophenyl)methanamine?
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-chlorophenyl)methanamine has a molecular weight of 328.64 g/mol, XLogP of 3.93, 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)-(3-chlorophenyl)methanamine is sourced from PubChem (CID 114646500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).