5-(2-bromophenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine

C12H14BrN3S — CID 66013287

IUPAC5-(2-bromophenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine
SMILESCCn1nc(C)c(N)c1Sc1ccccc1Br
InChIInChI=1S/C12H14BrN3S/c1-3-16-12(11(14)8(2)15-16)17-10-7-5-4-6-9(10)13/h4-7H,3,14H2,1-2H3
InChIKeyFNLHRNXCAIYIAP-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.71
Rot. Bonds3

About 5-(2-bromophenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine

5-(2-bromophenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine (PubChem CID 66013287) has the molecular formula C12H14BrN3S and a molecular weight of 312.24 g/mol. Its IUPAC name is 5-(2-bromophenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine.

Molecular Properties

Compound Name5-(2-bromophenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine
PubChem CID66013287
Molecular FormulaC12H14BrN3S
Molecular Weight312.24 g/mol
Exact Mass311.01
IUPAC Name5-(2-bromophenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine
SMILESCCn1nc(C)c(N)c1Sc1ccccc1Br
InChIInChI=1S/C12H14BrN3S/c1-3-16-12(11(14)8(2)15-16)17-10-7-5-4-6-9(10)13/h4-7H,3,14H2,1-2H3
InChIKeyFNLHRNXCAIYIAP-UHFFFAOYSA-N
XLogP3.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,4-dimethylphenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine
CID 66011333
5-(2,5-dichlorophenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine
CID 66010943
4-amino-N-(2-bromophenyl)-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66123080
1-ethyl-3-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazol-4-amine
CID 66012501
1-ethyl-3-methyl-5-(1-methylimidazol-2-yl)sulfanylpyrazol-4-amine
CID 66010744
1-ethyl-3-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-amine
CID 66010949
5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-ethyl-3-methylpyrazol-4-amine
CID 66010955
5-(2-bromophenyl)sulfanyl-1,3-dimethylpyrazole-4-carbaldehyde
CID 63803725
4-amino-1-ethyl-N-(2-ethylsulfanylphenyl)-3-methylpyrazole-5-carboxamide
CID 66124650
2-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)sulfanylbenzoic acid
CID 66013358
1-(2-bromophenyl)sulfanyl-3-(2-ethyl-5-methylpyrazol-3-yl)-N-methylpropan-2-amine
CID 66144856
4-amino-1-ethyl-N,3-dimethyl-N-phenylpyrazole-5-carboxamide
CID 66123079

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine?
The IUPAC name of 5-(2-bromophenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine (CID 66013287) is 5-(2-bromophenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine.
What is the SMILES notation for 5-(2-bromophenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine?
The canonical SMILES for 5-(2-bromophenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine is CCn1nc(C)c(N)c1Sc1ccccc1Br.
What is the InChIKey of 5-(2-bromophenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine?
The InChIKey is FNLHRNXCAIYIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3S/c1-3-16-12(11(14)8(2)15-16)17-10-7-5-4-6-9(10)13/h4-7H,3,14H2,1-2H3.
What are the key properties of 5-(2-bromophenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine?
5-(2-bromophenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine has a molecular weight of 312.24 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine is sourced from PubChem (CID 66013287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).