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

C9H13N5OS — CID 65130997

IUPAC1-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
SMILESCCSCc1noc(Cn2cc(N)cn2)n1
InChIInChI=1S/C9H13N5OS/c1-2-16-6-8-12-9(15-13-8)5-14-4-7(10)3-11-14/h3-4H,2,5-6,10H2,1H3
InChIKeyMDSCEFFGKVRGPJ-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.15
Rot. Bonds5

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

1-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine (PubChem CID 65130997) has the molecular formula C9H13N5OS and a molecular weight of 239.30 g/mol. Its IUPAC name is 1-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
PubChem CID65130997
Molecular FormulaC9H13N5OS
Molecular Weight239.30 g/mol
Exact Mass239.08
IUPAC Name1-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
SMILESCCSCc1noc(Cn2cc(N)cn2)n1
InChIInChI=1S/C9H13N5OS/c1-2-16-6-8-12-9(15-13-8)5-14-4-7(10)3-11-14/h3-4H,2,5-6,10H2,1H3
InChIKeyMDSCEFFGKVRGPJ-UHFFFAOYSA-N
XLogP1.15
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 65140812
1-[[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 62329913
1-[[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 62552548
1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 62717203
5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 112632012
1-[[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 116704210
[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 65129843
1-[[3-[(3-chloro-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 82790118
1-[[3-(3-ethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 115385248
1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 63085525
4-[1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]aniline
CID 104503178
1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 55103645

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The IUPAC name of 1-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine (CID 65130997) is 1-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The canonical SMILES for 1-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine is CCSCc1noc(Cn2cc(N)cn2)n1.
What is the InChIKey of 1-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The InChIKey is MDSCEFFGKVRGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5OS/c1-2-16-6-8-12-9(15-13-8)5-14-4-7(10)3-11-14/h3-4H,2,5-6,10H2,1H3.
What are the key properties of 1-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
1-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine has a molecular weight of 239.30 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine is sourced from PubChem (CID 65130997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).