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

C9H13N5OS — CID 66010949

IUPAC1-ethyl-3-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-amine
SMILESCCn1nc(C)c(N)c1Sc1nnc(C)o1
InChIInChI=1S/C9H13N5OS/c1-4-14-8(7(10)5(2)13-14)16-9-12-11-6(3)15-9/h4,10H2,1-3H3
InChIKeyZDVHXBSXNBHPPD-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.64
Rot. Bonds3

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

1-ethyl-3-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-amine (PubChem CID 66010949) has the molecular formula C9H13N5OS and a molecular weight of 239.30 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-amine
PubChem CID66010949
Molecular FormulaC9H13N5OS
Molecular Weight239.30 g/mol
Exact Mass239.08
IUPAC Name1-ethyl-3-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-amine
SMILESCCn1nc(C)c(N)c1Sc1nnc(C)o1
InChIInChI=1S/C9H13N5OS/c1-4-14-8(7(10)5(2)13-14)16-9-12-11-6(3)15-9/h4,10H2,1-3H3
InChIKeyZDVHXBSXNBHPPD-UHFFFAOYSA-N
XLogP1.64
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-amine?
The IUPAC name of 1-ethyl-3-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-amine (CID 66010949) is 1-ethyl-3-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-3-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-amine?
The canonical SMILES for 1-ethyl-3-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-amine is CCn1nc(C)c(N)c1Sc1nnc(C)o1.
What is the InChIKey of 1-ethyl-3-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-amine?
The InChIKey is ZDVHXBSXNBHPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5OS/c1-4-14-8(7(10)5(2)13-14)16-9-12-11-6(3)15-9/h4,10H2,1-3H3.
What are the key properties of 1-ethyl-3-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-amine?
1-ethyl-3-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-amine has a molecular weight of 239.30 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-amine is sourced from PubChem (CID 66010949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).