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

C14H15N3S — CID 117397140

IUPAC4-(2,3-dimethyl-1-benzothiophen-6-yl)-1-methylpyrazol-5-amine
SMILESCc1sc2cc(-c3cnn(C)c3N)ccc2c1C
InChIInChI=1S/C14H15N3S/c1-8-9(2)18-13-6-10(4-5-11(8)13)12-7-16-17(3)14(12)15/h4-7H,15H2,1-3H3
InChIKeyYLDFGKYIDHNARJ-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.50
Rot. Bonds1

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

4-(2,3-dimethyl-1-benzothiophen-6-yl)-1-methylpyrazol-5-amine (PubChem CID 117397140) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-(2,3-dimethyl-1-benzothiophen-6-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(2,3-dimethyl-1-benzothiophen-6-yl)-1-methylpyrazol-5-amine
PubChem CID117397140
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name4-(2,3-dimethyl-1-benzothiophen-6-yl)-1-methylpyrazol-5-amine
SMILESCc1sc2cc(-c3cnn(C)c3N)ccc2c1C
InChIInChI=1S/C14H15N3S/c1-8-9(2)18-13-6-10(4-5-11(8)13)12-7-16-17(3)14(12)15/h4-7H,15H2,1-3H3
InChIKeyYLDFGKYIDHNARJ-UHFFFAOYSA-N
XLogP3.50
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dimethyl-1-benzothiophen-6-yl)-1H-pyrazol-5-amine
CID 117360675
4-(3,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 62901487
4-(2-ethyl-1,3-benzothiazol-6-yl)-1-methylpyrazol-5-amine
CID 117399664
4-(4-ethyl-3-methylphenyl)-1-methylpyrazol-5-amine
CID 117307110
4-(4-bromo-3-fluorophenyl)-1-methylpyrazol-5-amine
CID 117428222
4-(3,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117370777
4-[3-(dimethylamino)-4-fluorophenyl]-1-methylpyrazol-5-amine
CID 115112491
1-methyl-4-(1-methylbenzotriazol-5-yl)pyrazol-5-amine
CID 117328812
4-(1,2-benzoxazol-5-yl)-1-methylpyrazol-5-amine
CID 117305388
4-(3-chloro-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117387554
4-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine
CID 117437063
4-(9-ethylcarbazol-3-yl)-1-methylpyrazol-5-amine
CID 117469258

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethyl-1-benzothiophen-6-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(2,3-dimethyl-1-benzothiophen-6-yl)-1-methylpyrazol-5-amine (CID 117397140) is 4-(2,3-dimethyl-1-benzothiophen-6-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(2,3-dimethyl-1-benzothiophen-6-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(2,3-dimethyl-1-benzothiophen-6-yl)-1-methylpyrazol-5-amine is Cc1sc2cc(-c3cnn(C)c3N)ccc2c1C.
What is the InChIKey of 4-(2,3-dimethyl-1-benzothiophen-6-yl)-1-methylpyrazol-5-amine?
The InChIKey is YLDFGKYIDHNARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-8-9(2)18-13-6-10(4-5-11(8)13)12-7-16-17(3)14(12)15/h4-7H,15H2,1-3H3.
What are the key properties of 4-(2,3-dimethyl-1-benzothiophen-6-yl)-1-methylpyrazol-5-amine?
4-(2,3-dimethyl-1-benzothiophen-6-yl)-1-methylpyrazol-5-amine has a molecular weight of 257.36 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethyl-1-benzothiophen-6-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117397140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).