5-(4-chloro-1-benzothiophen-2-yl)-1H-pyrazol-3-amine

C11H8ClN3S — CID 115110039

IUPAC5-(4-chloro-1-benzothiophen-2-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2cc3c(Cl)cccc3s2)[nH]n1
InChIInChI=1S/C11H8ClN3S/c12-7-2-1-3-9-6(7)4-10(16-9)8-5-11(13)15-14-8/h1-5H,(H3,13,14,15)
InChIKeyQRRMNQFESLLYMI-UHFFFAOYSA-N
MW249.73 g/mol
LogP3.53
Rot. Bonds1

About 5-(4-chloro-1-benzothiophen-2-yl)-1H-pyrazol-3-amine

5-(4-chloro-1-benzothiophen-2-yl)-1H-pyrazol-3-amine (PubChem CID 115110039) has the molecular formula C11H8ClN3S and a molecular weight of 249.73 g/mol. Its IUPAC name is 5-(4-chloro-1-benzothiophen-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-chloro-1-benzothiophen-2-yl)-1H-pyrazol-3-amine
PubChem CID115110039
Molecular FormulaC11H8ClN3S
Molecular Weight249.73 g/mol
Exact Mass249.01
IUPAC Name5-(4-chloro-1-benzothiophen-2-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2cc3c(Cl)cccc3s2)[nH]n1
InChIInChI=1S/C11H8ClN3S/c12-7-2-1-3-9-6(7)4-10(16-9)8-5-11(13)15-14-8/h1-5H,(H3,13,14,15)
InChIKeyQRRMNQFESLLYMI-UHFFFAOYSA-N
XLogP3.53
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.73
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-amine
CID 67188640
5-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine
CID 81265191
5-(7-chloro-1H-indol-2-yl)-1H-pyrazol-3-amine
CID 136985567
5-(4-chloro-1-benzothiophen-2-yl)-1,2-oxazole-3-carboxylic acid
CID 115110030
5-(5-methoxy-1-benzothiophen-2-yl)-1H-pyrazol-3-amine
CID 115109988
3-(4-chloro-1-benzothiophen-2-yl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
CID 10178316
O-[(4-chloro-1-benzothiophen-2-yl)methyl]hydroxylamine
CID 117194425
3-(4-chloro-1-benzothiophen-2-yl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
CID 71468944
5-(3-amino-1H-pyrazol-5-yl)-3-[2-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide
CID 90937986
5-(3-chloro-1-methylindol-7-yl)-1H-pyrazol-3-amine
CID 117369289
5-(3-chloro-1H-indol-4-yl)-1H-pyrazol-3-amine
CID 117337228
5-[2-(1,3-benzothiazol-2-yl)phenyl]-1H-pyrazol-3-amine
CID 117472107

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-1-benzothiophen-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-chloro-1-benzothiophen-2-yl)-1H-pyrazol-3-amine (CID 115110039) is 5-(4-chloro-1-benzothiophen-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-chloro-1-benzothiophen-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-chloro-1-benzothiophen-2-yl)-1H-pyrazol-3-amine is Nc1cc(-c2cc3c(Cl)cccc3s2)[nH]n1.
What is the InChIKey of 5-(4-chloro-1-benzothiophen-2-yl)-1H-pyrazol-3-amine?
The InChIKey is QRRMNQFESLLYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3S/c12-7-2-1-3-9-6(7)4-10(16-9)8-5-11(13)15-14-8/h1-5H,(H3,13,14,15).
What are the key properties of 5-(4-chloro-1-benzothiophen-2-yl)-1H-pyrazol-3-amine?
5-(4-chloro-1-benzothiophen-2-yl)-1H-pyrazol-3-amine has a molecular weight of 249.73 g/mol, XLogP of 3.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-1-benzothiophen-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 115110039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).