3-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-propan-2-ylpyrazol-4-amine

C10H15N5OS — CID 66026178

IUPAC3-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-propan-2-ylpyrazol-4-amine
SMILESCc1nnc(Sc2c(N)c(C)nn2C(C)C)o1
InChIInChI=1S/C10H15N5OS/c1-5(2)15-9(8(11)6(3)14-15)17-10-13-12-7(4)16-10/h5H,11H2,1-4H3
InChIKeyVIPOIGWYAMTTTH-UHFFFAOYSA-N
MW253.33 g/mol
LogP2.20
Rot. Bonds3

About 3-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-propan-2-ylpyrazol-4-amine

3-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-propan-2-ylpyrazol-4-amine (PubChem CID 66026178) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is 3-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name3-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-propan-2-ylpyrazol-4-amine
PubChem CID66026178
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC Name3-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-propan-2-ylpyrazol-4-amine
SMILESCc1nnc(Sc2c(N)c(C)nn2C(C)C)o1
InChIInChI=1S/C10H15N5OS/c1-5(2)15-9(8(11)6(3)14-15)17-10-13-12-7(4)16-10/h5H,11H2,1-4H3
InChIKeyVIPOIGWYAMTTTH-UHFFFAOYSA-N
XLogP2.20
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of 3-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-propan-2-ylpyrazol-4-amine (CID 66026178) is 3-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 3-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 3-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-propan-2-ylpyrazol-4-amine is Cc1nnc(Sc2c(N)c(C)nn2C(C)C)o1.
What is the InChIKey of 3-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-propan-2-ylpyrazol-4-amine?
The InChIKey is VIPOIGWYAMTTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-5(2)15-9(8(11)6(3)14-15)17-10-13-12-7(4)16-10/h5H,11H2,1-4H3.
What are the key properties of 3-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-propan-2-ylpyrazol-4-amine?
3-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-propan-2-ylpyrazol-4-amine has a molecular weight of 253.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 66026178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).