1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine

C12H17BrN4S — CID 105183986

IUPAC1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine
SMILESCNC(c1scnc1C)c1c(Br)cnn1C(C)C
InChIInChI=1S/C12H17BrN4S/c1-7(2)17-11(9(13)5-16-17)10(14-4)12-8(3)15-6-18-12/h5-7,10,14H,1-4H3
InChIKeyLKOJBKUFAUSXGX-UHFFFAOYSA-N
MW329.27 g/mol
LogP3.30
Rot. Bonds4

About 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine (PubChem CID 105183986) has the molecular formula C12H17BrN4S and a molecular weight of 329.27 g/mol. Its IUPAC name is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine
PubChem CID105183986
Molecular FormulaC12H17BrN4S
Molecular Weight329.27 g/mol
Exact Mass328.04
IUPAC Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine
SMILESCNC(c1scnc1C)c1c(Br)cnn1C(C)C
InChIInChI=1S/C12H17BrN4S/c1-7(2)17-11(9(13)5-16-17)10(14-4)12-8(3)15-6-18-12/h5-7,10,14H,1-4H3
InChIKeyLKOJBKUFAUSXGX-UHFFFAOYSA-N
XLogP3.30
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 105042131
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]hydrazine
CID 105336779
[(4-bromo-1-methylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]hydrazine
CID 105342123
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylmethanamine
CID 105183959
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine
CID 107103095
N-[(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 105182980
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 105042170
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2,4-dibromophenyl)-N-methylmethanamine
CID 107946798
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105183926
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,2-difluoro-N-methylethanamine
CID 103517138
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
CID 105042324
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 105042228

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine (CID 105183986) is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine is CNC(c1scnc1C)c1c(Br)cnn1C(C)C.
What is the InChIKey of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine?
The InChIKey is LKOJBKUFAUSXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4S/c1-7(2)17-11(9(13)5-16-17)10(14-4)12-8(3)15-6-18-12/h5-7,10,14H,1-4H3.
What are the key properties of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine?
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine has a molecular weight of 329.27 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 105183986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).