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

C11H13Br2N3S — CID 105042373

IUPAC(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-bromothiophen-2-yl)methanamine
SMILESCC(C)n1ncc(Br)c1C(N)c1sccc1Br
InChIInChI=1S/C11H13Br2N3S/c1-6(2)16-10(8(13)5-15-16)9(14)11-7(12)3-4-17-11/h3-6,9H,14H2,1-2H3
InChIKeyUPCLPYMUTDSAPG-UHFFFAOYSA-N
MW379.12 g/mol
LogP4.10
Rot. Bonds3

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

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-bromothiophen-2-yl)methanamine (PubChem CID 105042373) has the molecular formula C11H13Br2N3S and a molecular weight of 379.12 g/mol. Its IUPAC name is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-bromothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-bromothiophen-2-yl)methanamine
PubChem CID105042373
Molecular FormulaC11H13Br2N3S
Molecular Weight379.12 g/mol
Exact Mass376.92
IUPAC Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-bromothiophen-2-yl)methanamine
SMILESCC(C)n1ncc(Br)c1C(N)c1sccc1Br
InChIInChI=1S/C11H13Br2N3S/c1-6(2)16-10(8(13)5-15-16)9(14)11-7(12)3-4-17-11/h3-6,9H,14H2,1-2H3
InChIKeyUPCLPYMUTDSAPG-UHFFFAOYSA-N
XLogP4.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.12
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 105041950
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromothiophen-2-yl)methanamine
CID 105040396
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylphenyl)methanamine
CID 114646764
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-chlorothiophen-2-yl)methanamine
CID 105042104
[(3-bromothiophen-2-yl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105339586
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol
CID 115835397
(1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine
CID 131098099
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 105042131
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanamine
CID 105042180
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,4,5-trimethylfuran-3-yl)methanamine
CID 105042123
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,3-dimethylbutan-1-amine
CID 105042339
(3-bromothiophen-2-yl)-(1,5-dimethylpyrazol-4-yl)methanamine
CID 105173057

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-bromothiophen-2-yl)methanamine?
The IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-bromothiophen-2-yl)methanamine (CID 105042373) is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-bromothiophen-2-yl)methanamine.
What is the SMILES notation for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-bromothiophen-2-yl)methanamine?
The canonical SMILES for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-bromothiophen-2-yl)methanamine is CC(C)n1ncc(Br)c1C(N)c1sccc1Br.
What is the InChIKey of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-bromothiophen-2-yl)methanamine?
The InChIKey is UPCLPYMUTDSAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2N3S/c1-6(2)16-10(8(13)5-15-16)9(14)11-7(12)3-4-17-11/h3-6,9H,14H2,1-2H3.
What are the key properties of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-bromothiophen-2-yl)methanamine?
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-bromothiophen-2-yl)methanamine has a molecular weight of 379.12 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-bromothiophen-2-yl)methanamine is sourced from PubChem (CID 105042373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).