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

C11H17N5OS — CID 65138161

IUPAC1-methyl-4-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine
SMILESCC(C)CSCc1noc(-c2cnn(C)c2N)n1
InChIInChI=1S/C11H17N5OS/c1-7(2)5-18-6-9-14-11(17-15-9)8-4-13-16(3)10(8)12/h4,7H,5-6,12H2,1-3H3
InChIKeyCBRZPZKNYJZGME-UHFFFAOYSA-N
MW267.36 g/mol
LogP1.94
Rot. Bonds5

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

1-methyl-4-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine (PubChem CID 65138161) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is 1-methyl-4-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine
PubChem CID65138161
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC Name1-methyl-4-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine
SMILESCC(C)CSCc1noc(-c2cnn(C)c2N)n1
InChIInChI=1S/C11H17N5OS/c1-7(2)5-18-6-9-14-11(17-15-9)8-4-13-16(3)10(8)12/h4,7H,5-6,12H2,1-3H3
InChIKeyCBRZPZKNYJZGME-UHFFFAOYSA-N
XLogP1.94
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine?
The IUPAC name of 1-methyl-4-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine (CID 65138161) is 1-methyl-4-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine?
The canonical SMILES for 1-methyl-4-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine is CC(C)CSCc1noc(-c2cnn(C)c2N)n1.
What is the InChIKey of 1-methyl-4-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine?
The InChIKey is CBRZPZKNYJZGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-7(2)5-18-6-9-14-11(17-15-9)8-4-13-16(3)10(8)12/h4,7H,5-6,12H2,1-3H3.
What are the key properties of 1-methyl-4-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine?
1-methyl-4-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine has a molecular weight of 267.36 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine is sourced from PubChem (CID 65138161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).