4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]thiolan-3-amine

C10H16BrN3S — CID 83196381

IUPAC4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]thiolan-3-amine
SMILESCc1nn(C)c(CC2CSCC2N)c1Br
InChIInChI=1S/C10H16BrN3S/c1-6-10(11)9(14(2)13-6)3-7-4-15-5-8(7)12/h7-8H,3-5,12H2,1-2H3
InChIKeyQVHXFDPHOGLANG-UHFFFAOYSA-N
MW290.23 g/mol
LogP1.72
Rot. Bonds2

About 4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]thiolan-3-amine

4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]thiolan-3-amine (PubChem CID 83196381) has the molecular formula C10H16BrN3S and a molecular weight of 290.23 g/mol. Its IUPAC name is 4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]thiolan-3-amine.

Molecular Properties

Compound Name4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]thiolan-3-amine
PubChem CID83196381
Molecular FormulaC10H16BrN3S
Molecular Weight290.23 g/mol
Exact Mass289.02
IUPAC Name4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]thiolan-3-amine
SMILESCc1nn(C)c(CC2CSCC2N)c1Br
InChIInChI=1S/C10H16BrN3S/c1-6-10(11)9(14(2)13-6)3-7-4-15-5-8(7)12/h7-8H,3-5,12H2,1-2H3
InChIKeyQVHXFDPHOGLANG-UHFFFAOYSA-N
XLogP1.72
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-[(4-bromothiolan-3-yl)methyl]-3-ethyl-1-methylpyrazole
CID 83190191
4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]thiolan-3-amine
CID 83196814
2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]cyclopentane-1-carboxylic acid
CID 81008879
4-bromo-5-[(3,4-dimethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole
CID 79183615
3-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-methyloxan-4-amine
CID 106469199
4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-propylthiolan-3-amine
CID 83196417
4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-N-ethylthiolan-3-amine
CID 83196510
3-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-propyloxan-4-amine
CID 106469561
N-[[2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
CID 81034972
(2S,6R)-4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2,6-dimethylmorpholine
CID 104960036
4-bromo-1,3-dimethyl-5-(oxetan-3-yloxymethyl)pyrazole
CID 102607214
1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-methylpiperidin-4-amine
CID 120839768

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]thiolan-3-amine?
The IUPAC name of 4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]thiolan-3-amine (CID 83196381) is 4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]thiolan-3-amine.
What is the SMILES notation for 4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]thiolan-3-amine?
The canonical SMILES for 4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]thiolan-3-amine is Cc1nn(C)c(CC2CSCC2N)c1Br.
What is the InChIKey of 4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]thiolan-3-amine?
The InChIKey is QVHXFDPHOGLANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3S/c1-6-10(11)9(14(2)13-6)3-7-4-15-5-8(7)12/h7-8H,3-5,12H2,1-2H3.
What are the key properties of 4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]thiolan-3-amine?
4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]thiolan-3-amine has a molecular weight of 290.23 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]thiolan-3-amine is sourced from PubChem (CID 83196381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).