3-(5-bromothiophen-3-yl)-1,4-dimethylpyrazol-5-amine

C9H10BrN3S — CID 107962627

IUPAC3-(5-bromothiophen-3-yl)-1,4-dimethylpyrazol-5-amine
SMILESCc1c(-c2csc(Br)c2)nn(C)c1N
InChIInChI=1S/C9H10BrN3S/c1-5-8(12-13(2)9(5)11)6-3-7(10)14-4-6/h3-4H,11H2,1-2H3
InChIKeySNQUIABGDTYNRX-UHFFFAOYSA-N
MW272.17 g/mol
LogP2.80
Rot. Bonds1

About 3-(5-bromothiophen-3-yl)-1,4-dimethylpyrazol-5-amine

3-(5-bromothiophen-3-yl)-1,4-dimethylpyrazol-5-amine (PubChem CID 107962627) has the molecular formula C9H10BrN3S and a molecular weight of 272.17 g/mol. Its IUPAC name is 3-(5-bromothiophen-3-yl)-1,4-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name3-(5-bromothiophen-3-yl)-1,4-dimethylpyrazol-5-amine
PubChem CID107962627
Molecular FormulaC9H10BrN3S
Molecular Weight272.17 g/mol
Exact Mass270.98
IUPAC Name3-(5-bromothiophen-3-yl)-1,4-dimethylpyrazol-5-amine
SMILESCc1c(-c2csc(Br)c2)nn(C)c1N
InChIInChI=1S/C9H10BrN3S/c1-5-8(12-13(2)9(5)11)6-3-7(10)14-4-6/h3-4H,11H2,1-2H3
InChIKeySNQUIABGDTYNRX-UHFFFAOYSA-N
XLogP2.80
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromo-5-methylphenyl)-1,4-dimethylpyrazol-5-amine
CID 104853069
3-(5-bromothiophen-3-yl)-4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine
CID 107962720
3-(5-fluoro-3-pyridinyl)-1,4-dimethylpyrazol-5-amine
CID 104785956
4-bromo-3-(4-bromothiophen-2-yl)-1-methylpyrazol-5-amine
CID 84611020
1,4-dimethyl-3-thiophen-2-ylpyrazol-5-amine
CID 4737047
3-(3-methoxy-4-methylphenyl)-1,4-dimethylpyrazol-5-amine
CID 43158798
3-(3-chloro-4-fluorophenyl)-1,4-dimethylpyrazol-5-amine
CID 82875760
1,4-dimethyl-3-pyrimidin-2-ylpyrazol-5-amine
CID 114552607
3-(5-iodothiophen-3-yl)-1-methyl-4-phenylpyrazol-5-amine
CID 79693966
3-(5-iodothiophen-3-yl)-1-methyl-4-(2-methylphenyl)pyrazol-5-amine
CID 79693790
3-(2,4-difluoro-5-methylphenyl)-1,4-dimethylpyrazol-5-amine
CID 113396503
3-(4-butoxyphenyl)-1,4-dimethylpyrazol-5-amine
CID 43336628

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-3-yl)-1,4-dimethylpyrazol-5-amine?
The IUPAC name of 3-(5-bromothiophen-3-yl)-1,4-dimethylpyrazol-5-amine (CID 107962627) is 3-(5-bromothiophen-3-yl)-1,4-dimethylpyrazol-5-amine.
What is the SMILES notation for 3-(5-bromothiophen-3-yl)-1,4-dimethylpyrazol-5-amine?
The canonical SMILES for 3-(5-bromothiophen-3-yl)-1,4-dimethylpyrazol-5-amine is Cc1c(-c2csc(Br)c2)nn(C)c1N.
What is the InChIKey of 3-(5-bromothiophen-3-yl)-1,4-dimethylpyrazol-5-amine?
The InChIKey is SNQUIABGDTYNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3S/c1-5-8(12-13(2)9(5)11)6-3-7(10)14-4-6/h3-4H,11H2,1-2H3.
What are the key properties of 3-(5-bromothiophen-3-yl)-1,4-dimethylpyrazol-5-amine?
3-(5-bromothiophen-3-yl)-1,4-dimethylpyrazol-5-amine has a molecular weight of 272.17 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-3-yl)-1,4-dimethylpyrazol-5-amine is sourced from PubChem (CID 107962627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).