5-(4-bromothiophen-2-yl)-1H-pyrazole-3-carbonitrile

C8H4BrN3S — CID 116858554

IUPAC5-(4-bromothiophen-2-yl)-1H-pyrazole-3-carbonitrile
SMILESN#Cc1cc(-c2cc(Br)cs2)[nH]n1
InChIInChI=1S/C8H4BrN3S/c9-5-1-8(13-4-5)7-2-6(3-10)11-12-7/h1-2,4H,(H,11,12)
InChIKeyUANYXZXNLVNNNM-UHFFFAOYSA-N
MW254.11 g/mol
LogP2.77
Rot. Bonds1

About 5-(4-bromothiophen-2-yl)-1H-pyrazole-3-carbonitrile

5-(4-bromothiophen-2-yl)-1H-pyrazole-3-carbonitrile (PubChem CID 116858554) has the molecular formula C8H4BrN3S and a molecular weight of 254.11 g/mol. Its IUPAC name is 5-(4-bromothiophen-2-yl)-1H-pyrazole-3-carbonitrile.

Molecular Properties

Compound Name5-(4-bromothiophen-2-yl)-1H-pyrazole-3-carbonitrile
PubChem CID116858554
Molecular FormulaC8H4BrN3S
Molecular Weight254.11 g/mol
Exact Mass252.93
IUPAC Name5-(4-bromothiophen-2-yl)-1H-pyrazole-3-carbonitrile
SMILESN#Cc1cc(-c2cc(Br)cs2)[nH]n1
InChIInChI=1S/C8H4BrN3S/c9-5-1-8(13-4-5)7-2-6(3-10)11-12-7/h1-2,4H,(H,11,12)
InChIKeyUANYXZXNLVNNNM-UHFFFAOYSA-N
XLogP2.77
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.11
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-bromothiophen-2-yl)-1H-pyrazol-3-amine
CID 82478306
2-amino-5-(4-bromothiophen-2-yl)-1H-pyrrole-3-carbonitrile
CID 82305018
3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazole
CID 116856607
5-(4-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 107355298
6-(4-bromothiophen-2-yl)-2-hydrazinylpyridine-3-carbonitrile
CID 107355275
5-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-3-carbonitrile
CID 137015006
1-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]cyclopropane-1-carbonitrile
CID 116890793
2-amino-4-(4-bromothiophen-2-yl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230853
2-[3-(4-bromothiophen-2-yl)-1H-pyrazol-5-yl]ethanamine
CID 82488410
2-(4-bromothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile
CID 116854118
5-cyclopropyl-1H-pyrazole-3-carbonitrile
CID 39235045
2,5-bis(4-bromothiophen-2-yl)thiophene
CID 11143949

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromothiophen-2-yl)-1H-pyrazole-3-carbonitrile?
The IUPAC name of 5-(4-bromothiophen-2-yl)-1H-pyrazole-3-carbonitrile (CID 116858554) is 5-(4-bromothiophen-2-yl)-1H-pyrazole-3-carbonitrile.
What is the SMILES notation for 5-(4-bromothiophen-2-yl)-1H-pyrazole-3-carbonitrile?
The canonical SMILES for 5-(4-bromothiophen-2-yl)-1H-pyrazole-3-carbonitrile is N#Cc1cc(-c2cc(Br)cs2)[nH]n1.
What is the InChIKey of 5-(4-bromothiophen-2-yl)-1H-pyrazole-3-carbonitrile?
The InChIKey is UANYXZXNLVNNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrN3S/c9-5-1-8(13-4-5)7-2-6(3-10)11-12-7/h1-2,4H,(H,11,12).
What are the key properties of 5-(4-bromothiophen-2-yl)-1H-pyrazole-3-carbonitrile?
5-(4-bromothiophen-2-yl)-1H-pyrazole-3-carbonitrile has a molecular weight of 254.11 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromothiophen-2-yl)-1H-pyrazole-3-carbonitrile is sourced from PubChem (CID 116858554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).