2-[4-bromo-5-[hydrazinyl-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine

C12H19BrN6S — CID 105336514

IUPAC2-[4-bromo-5-[hydrazinyl-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCc1nc(C(NN)c2c(Br)cnn2CCN(C)C)cs1
InChIInChI=1S/C12H19BrN6S/c1-8-16-10(7-20-8)11(17-14)12-9(13)6-15-19(12)5-4-18(2)3/h6-7,11,17H,4-5,14H2,1-3H3
InChIKeyAFDPTQPZQLHNFJ-UHFFFAOYSA-N
MW359.30 g/mol
LogP1.52
Rot. Bonds6

About 2-[4-bromo-5-[hydrazinyl-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine

2-[4-bromo-5-[hydrazinyl-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 105336514) has the molecular formula C12H19BrN6S and a molecular weight of 359.30 g/mol. Its IUPAC name is 2-[4-bromo-5-[hydrazinyl-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-bromo-5-[hydrazinyl-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID105336514
Molecular FormulaC12H19BrN6S
Molecular Weight359.30 g/mol
Exact Mass358.06
IUPAC Name2-[4-bromo-5-[hydrazinyl-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCc1nc(C(NN)c2c(Br)cnn2CCN(C)C)cs1
InChIInChI=1S/C12H19BrN6S/c1-8-16-10(7-20-8)11(17-14)12-9(13)6-15-19(12)5-4-18(2)3/h6-7,11,17H,4-5,14H2,1-3H3
InChIKeyAFDPTQPZQLHNFJ-UHFFFAOYSA-N
XLogP1.52
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-bromo-5-[ethylamino-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105183340
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 105337332
2-[4-bromo-5-[hydrazinyl-(1-methylpyrazol-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105228636
2-[4-bromo-5-[(2-bromophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105208582
2-[4-bromo-5-[hydrazinyl(thiadiazol-5-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105336482
2-[5-[amino-(2-methyl-1,3-thiazol-4-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105182393
2-[[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-hydrazinylmethyl]aniline
CID 105223775
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanol
CID 114638404
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanol
CID 114638408
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105184289
2-[4-bromo-5-(1-hydrazinyl-2-methoxypropyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 105246875
2-[4-bromo-5-[methylamino-(4-methylphenyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114646966

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-[hydrazinyl-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-bromo-5-[hydrazinyl-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (CID 105336514) is 2-[4-bromo-5-[hydrazinyl-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-bromo-5-[hydrazinyl-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-bromo-5-[hydrazinyl-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is Cc1nc(C(NN)c2c(Br)cnn2CCN(C)C)cs1.
What is the InChIKey of 2-[4-bromo-5-[hydrazinyl-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is AFDPTQPZQLHNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN6S/c1-8-16-10(7-20-8)11(17-14)12-9(13)6-15-19(12)5-4-18(2)3/h6-7,11,17H,4-5,14H2,1-3H3.
What are the key properties of 2-[4-bromo-5-[hydrazinyl-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
2-[4-bromo-5-[hydrazinyl-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 359.30 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-[hydrazinyl-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 105336514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).