5-N-[(5-bromothiophen-3-yl)methyl]-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine

C13H19BrN4S — CID 66018219

IUPAC5-N-[(5-bromothiophen-3-yl)methyl]-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine
SMILESCC(C)c1nn(C)c(N(C)Cc2csc(Br)c2)c1N
InChIInChI=1S/C13H19BrN4S/c1-8(2)12-11(15)13(18(4)16-12)17(3)6-9-5-10(14)19-7-9/h5,7-8H,6,15H2,1-4H3
InChIKeyUTSXFGBOXOAXFQ-UHFFFAOYSA-N
MW343.29 g/mol
LogP3.59
Rot. Bonds4

About 5-N-[(5-bromothiophen-3-yl)methyl]-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine

5-N-[(5-bromothiophen-3-yl)methyl]-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66018219) has the molecular formula C13H19BrN4S and a molecular weight of 343.29 g/mol. Its IUPAC name is 5-N-[(5-bromothiophen-3-yl)methyl]-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[(5-bromothiophen-3-yl)methyl]-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine
PubChem CID66018219
Molecular FormulaC13H19BrN4S
Molecular Weight343.29 g/mol
Exact Mass342.05
IUPAC Name5-N-[(5-bromothiophen-3-yl)methyl]-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine
SMILESCC(C)c1nn(C)c(N(C)Cc2csc(Br)c2)c1N
InChIInChI=1S/C13H19BrN4S/c1-8(2)12-11(15)13(18(4)16-12)17(3)6-9-5-10(14)19-7-9/h5,7-8H,6,15H2,1-4H3
InChIKeyUTSXFGBOXOAXFQ-UHFFFAOYSA-N
XLogP3.59
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-N-[(5-bromothiophen-3-yl)methyl]-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine with MolForge

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Related Compounds

5-N-[(5-bromothiophen-3-yl)methyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine
CID 66019454
1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-methylamino]propan-2-ol
CID 66019786
5-N,1-dimethyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine
CID 66012525
5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propan-2-ylpyrazole-4,5-diamine
CID 66017999
5-N-(2,2-dimethylpropyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66019013
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-methylamino]ethanol
CID 66019160
5-N,1-dimethyl-5-N-[2-(methylamino)ethyl]-3-propan-2-ylpyrazole-4,5-diamine
CID 66011559
2-N-[(5-bromothiophen-3-yl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80805230
5-N-(2-ethoxyethyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine
CID 81059062
(1S)-1-[5-[(5-bromothiophen-3-yl)methyl-methylamino]-2-pyridinyl]ethanol
CID 83131703
(1R)-1-[5-[(5-bromothiophen-3-yl)methyl-methylamino]-2-pyridinyl]ethanol
CID 83131878
4-N-[(5-bromothiophen-3-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80805322

Frequently Asked Questions

What is the IUPAC name of 5-N-[(5-bromothiophen-3-yl)methyl]-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[(5-bromothiophen-3-yl)methyl]-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine (CID 66018219) is 5-N-[(5-bromothiophen-3-yl)methyl]-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[(5-bromothiophen-3-yl)methyl]-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[(5-bromothiophen-3-yl)methyl]-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine is CC(C)c1nn(C)c(N(C)Cc2csc(Br)c2)c1N.
What is the InChIKey of 5-N-[(5-bromothiophen-3-yl)methyl]-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is UTSXFGBOXOAXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4S/c1-8(2)12-11(15)13(18(4)16-12)17(3)6-9-5-10(14)19-7-9/h5,7-8H,6,15H2,1-4H3.
What are the key properties of 5-N-[(5-bromothiophen-3-yl)methyl]-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine?
5-N-[(5-bromothiophen-3-yl)methyl]-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 343.29 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(5-bromothiophen-3-yl)methyl]-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66018219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).