1,3-dimethyl-5-propan-2-ylsulfanylpyrazol-4-amine

C8H15N3S — CID 60884056

IUPAC1,3-dimethyl-5-propan-2-ylsulfanylpyrazol-4-amine
SMILESCc1nn(C)c(SC(C)C)c1N
InChIInChI=1S/C8H15N3S/c1-5(2)12-8-7(9)6(3)10-11(8)4/h5H,9H2,1-4H3
InChIKeyXAILCZYZHHVPIM-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.81
Rot. Bonds2

About 1,3-dimethyl-5-propan-2-ylsulfanylpyrazol-4-amine

1,3-dimethyl-5-propan-2-ylsulfanylpyrazol-4-amine (PubChem CID 60884056) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 1,3-dimethyl-5-propan-2-ylsulfanylpyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-5-propan-2-ylsulfanylpyrazol-4-amine
PubChem CID60884056
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name1,3-dimethyl-5-propan-2-ylsulfanylpyrazol-4-amine
SMILESCc1nn(C)c(SC(C)C)c1N
InChIInChI=1S/C8H15N3S/c1-5(2)12-8-7(9)6(3)10-11(8)4/h5H,9H2,1-4H3
InChIKeyXAILCZYZHHVPIM-UHFFFAOYSA-N
XLogP1.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-propan-2-ylsulfanylpyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-5-propan-2-ylsulfanylpyrazol-4-amine (CID 60884056) is 1,3-dimethyl-5-propan-2-ylsulfanylpyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-5-propan-2-ylsulfanylpyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-5-propan-2-ylsulfanylpyrazol-4-amine is Cc1nn(C)c(SC(C)C)c1N.
What is the InChIKey of 1,3-dimethyl-5-propan-2-ylsulfanylpyrazol-4-amine?
The InChIKey is XAILCZYZHHVPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-5(2)12-8-7(9)6(3)10-11(8)4/h5H,9H2,1-4H3.
What are the key properties of 1,3-dimethyl-5-propan-2-ylsulfanylpyrazol-4-amine?
1,3-dimethyl-5-propan-2-ylsulfanylpyrazol-4-amine has a molecular weight of 185.30 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-propan-2-ylsulfanylpyrazol-4-amine is sourced from PubChem (CID 60884056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).