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

C10H15N5OS — CID 65130218

IUPAC1-methyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine
SMILESCCCSCc1noc(-c2cnn(C)c2N)n1
InChIInChI=1S/C10H15N5OS/c1-3-4-17-6-8-13-10(16-14-8)7-5-12-15(2)9(7)11/h5H,3-4,6,11H2,1-2H3
InChIKeyHCDKSCGNDIKCEU-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.70
Rot. Bonds5

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

1-methyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine (PubChem CID 65130218) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is 1-methyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine
PubChem CID65130218
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC Name1-methyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine
SMILESCCCSCc1noc(-c2cnn(C)c2N)n1
InChIInChI=1S/C10H15N5OS/c1-3-4-17-6-8-13-10(16-14-8)7-5-12-15(2)9(7)11/h5H,3-4,6,11H2,1-2H3
InChIKeyHCDKSCGNDIKCEU-UHFFFAOYSA-N
XLogP1.70
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
CID 65130936
1-methyl-4-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine
CID 65138161
4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
CID 65133960
4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
CID 113291073
4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
CID 43627422
4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
CID 116702488
4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-methylpyrazol-5-amine
CID 54939679
3-methyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine
CID 79391024
1-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine
CID 63840780
4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
CID 116742411
4-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
CID 65353841
4-bromo-2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65131124

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine?
The IUPAC name of 1-methyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine (CID 65130218) is 1-methyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine?
The canonical SMILES for 1-methyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine is CCCSCc1noc(-c2cnn(C)c2N)n1.
What is the InChIKey of 1-methyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine?
The InChIKey is HCDKSCGNDIKCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-3-4-17-6-8-13-10(16-14-8)7-5-12-15(2)9(7)11/h5H,3-4,6,11H2,1-2H3.
What are the key properties of 1-methyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine?
1-methyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine has a molecular weight of 253.33 g/mol, XLogP of 1.70, 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-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine is sourced from PubChem (CID 65130218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).