4-(2,3-dimethyl-1-benzothiophen-6-yl)-1H-pyrazol-5-amine

C13H13N3S — CID 117360675

IUPAC4-(2,3-dimethyl-1-benzothiophen-6-yl)-1H-pyrazol-5-amine
SMILESCc1sc2cc(-c3cn[nH]c3N)ccc2c1C
InChIInChI=1S/C13H13N3S/c1-7-8(2)17-12-5-9(3-4-10(7)12)11-6-15-16-13(11)14/h3-6H,1-2H3,(H3,14,15,16)
InChIKeyUNPFXCWEKMPKFD-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.49
Rot. Bonds1

About 4-(2,3-dimethyl-1-benzothiophen-6-yl)-1H-pyrazol-5-amine

4-(2,3-dimethyl-1-benzothiophen-6-yl)-1H-pyrazol-5-amine (PubChem CID 117360675) has the molecular formula C13H13N3S and a molecular weight of 243.34 g/mol. Its IUPAC name is 4-(2,3-dimethyl-1-benzothiophen-6-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(2,3-dimethyl-1-benzothiophen-6-yl)-1H-pyrazol-5-amine
PubChem CID117360675
Molecular FormulaC13H13N3S
Molecular Weight243.34 g/mol
Exact Mass243.08
IUPAC Name4-(2,3-dimethyl-1-benzothiophen-6-yl)-1H-pyrazol-5-amine
SMILESCc1sc2cc(-c3cn[nH]c3N)ccc2c1C
InChIInChI=1S/C13H13N3S/c1-7-8(2)17-12-5-9(3-4-10(7)12)11-6-15-16-13(11)14/h3-6H,1-2H3,(H3,14,15,16)
InChIKeyUNPFXCWEKMPKFD-UHFFFAOYSA-N
XLogP3.49
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dimethyl-1-benzothiophen-6-yl)-1-methylpyrazol-5-amine
CID 117397140
4-(2-methyl-1,3-benzothiazol-6-yl)-1H-pyrazol-5-amine
CID 117332699
4-(2-tert-butyl-1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine
CID 117433991
4-(4-bromo-3-methylphenyl)-1H-pyrazol-5-amine
CID 117383094
4-(3,5-difluoro-4-methylphenyl)-1H-pyrazol-5-amine
CID 117298238
4-(2-fluoro-4,5-dimethylthiophen-3-yl)-1H-pyrazol-5-amine
CID 70393584
4-(1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine
CID 117308131
4-(3-chloro-1-methylindazol-6-yl)-1H-pyrazol-5-amine
CID 117372451
4-(2-methyl-1-benzofuran-6-yl)-1H-pyrazol-5-amine
CID 117304034
4-(4-bromophenyl)-1H-pyrazol-5-amine
CID 17390115
4-(3-chloro-4-methylsulfonylphenyl)-1H-pyrazol-5-amine
CID 117432033
4-(3-phenyl-4-propan-2-ylphenyl)-1H-pyrazol-5-amine
CID 117444749

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethyl-1-benzothiophen-6-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(2,3-dimethyl-1-benzothiophen-6-yl)-1H-pyrazol-5-amine (CID 117360675) is 4-(2,3-dimethyl-1-benzothiophen-6-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(2,3-dimethyl-1-benzothiophen-6-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(2,3-dimethyl-1-benzothiophen-6-yl)-1H-pyrazol-5-amine is Cc1sc2cc(-c3cn[nH]c3N)ccc2c1C.
What is the InChIKey of 4-(2,3-dimethyl-1-benzothiophen-6-yl)-1H-pyrazol-5-amine?
The InChIKey is UNPFXCWEKMPKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c1-7-8(2)17-12-5-9(3-4-10(7)12)11-6-15-16-13(11)14/h3-6H,1-2H3,(H3,14,15,16).
What are the key properties of 4-(2,3-dimethyl-1-benzothiophen-6-yl)-1H-pyrazol-5-amine?
4-(2,3-dimethyl-1-benzothiophen-6-yl)-1H-pyrazol-5-amine has a molecular weight of 243.34 g/mol, XLogP of 3.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethyl-1-benzothiophen-6-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117360675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).