5-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine

C13H20N4S — CID 54964916

IUPAC5-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine
SMILESCc1cc(C(C)Nc2c(N)c(C)nn2C)c(C)s1
InChIInChI=1S/C13H20N4S/c1-7-6-11(10(4)18-7)8(2)15-13-12(14)9(3)16-17(13)5/h6,8,15H,14H2,1-5H3
InChIKeyPYOKMNJEHONYMJ-UHFFFAOYSA-N
MW264.40 g/mol
LogP3.16
Rot. Bonds3

About 5-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine

5-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine (PubChem CID 54964916) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 5-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine
PubChem CID54964916
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name5-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine
SMILESCc1cc(C(C)Nc2c(N)c(C)nn2C)c(C)s1
InChIInChI=1S/C13H20N4S/c1-7-6-11(10(4)18-7)8(2)15-13-12(14)9(3)16-17(13)5/h6,8,15H,14H2,1-5H3
InChIKeyPYOKMNJEHONYMJ-UHFFFAOYSA-N
XLogP3.16
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine (CID 54964916) is 5-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine is Cc1cc(C(C)Nc2c(N)c(C)nn2C)c(C)s1.
What is the InChIKey of 5-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine?
The InChIKey is PYOKMNJEHONYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-7-6-11(10(4)18-7)8(2)15-13-12(14)9(3)16-17(13)5/h6,8,15H,14H2,1-5H3.
What are the key properties of 5-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine?
5-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine has a molecular weight of 264.40 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine is sourced from PubChem (CID 54964916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).