(3,4-dimethyl-2H-thieno[2,3-c]pyrazol-5-yl)methanamine

C8H11N3S — CID 82503896

IUPAC(3,4-dimethyl-2H-thieno[2,3-c]pyrazol-5-yl)methanamine
SMILESCc1[nH]nc2sc(CN)c(C)c12
InChIInChI=1S/C8H11N3S/c1-4-6(3-9)12-8-7(4)5(2)10-11-8/h3,9H2,1-2H3,(H,10,11)
InChIKeyIWZKVILCOFKTRY-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.70
Rot. Bonds1

About (3,4-dimethyl-2H-thieno[2,3-c]pyrazol-5-yl)methanamine

(3,4-dimethyl-2H-thieno[2,3-c]pyrazol-5-yl)methanamine (PubChem CID 82503896) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is (3,4-dimethyl-2H-thieno[2,3-c]pyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(3,4-dimethyl-2H-thieno[2,3-c]pyrazol-5-yl)methanamine
PubChem CID82503896
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name(3,4-dimethyl-2H-thieno[2,3-c]pyrazol-5-yl)methanamine
SMILESCc1[nH]nc2sc(CN)c(C)c12
InChIInChI=1S/C8H11N3S/c1-4-6(3-9)12-8-7(4)5(2)10-11-8/h3,9H2,1-2H3,(H,10,11)
InChIKeyIWZKVILCOFKTRY-UHFFFAOYSA-N
XLogP1.70
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethyl-2H-thieno[2,3-c]pyrazol-5-yl)methanamine?
The IUPAC name of (3,4-dimethyl-2H-thieno[2,3-c]pyrazol-5-yl)methanamine (CID 82503896) is (3,4-dimethyl-2H-thieno[2,3-c]pyrazol-5-yl)methanamine.
What is the SMILES notation for (3,4-dimethyl-2H-thieno[2,3-c]pyrazol-5-yl)methanamine?
The canonical SMILES for (3,4-dimethyl-2H-thieno[2,3-c]pyrazol-5-yl)methanamine is Cc1[nH]nc2sc(CN)c(C)c12.
What is the InChIKey of (3,4-dimethyl-2H-thieno[2,3-c]pyrazol-5-yl)methanamine?
The InChIKey is IWZKVILCOFKTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c1-4-6(3-9)12-8-7(4)5(2)10-11-8/h3,9H2,1-2H3,(H,10,11).
What are the key properties of (3,4-dimethyl-2H-thieno[2,3-c]pyrazol-5-yl)methanamine?
(3,4-dimethyl-2H-thieno[2,3-c]pyrazol-5-yl)methanamine has a molecular weight of 181.26 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethyl-2H-thieno[2,3-c]pyrazol-5-yl)methanamine is sourced from PubChem (CID 82503896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).