N-[[1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine

C11H17N5OS — CID 63809837

IUPACN-[[1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(C)c1Sc1nnc(C)o1
InChIInChI=1S/C11H17N5OS/c1-5-12-6-9-7(2)15-16(4)10(9)18-11-14-13-8(3)17-11/h12H,5-6H2,1-4H3
InChIKeySQHKLBMJKQJYOF-UHFFFAOYSA-N
MW267.36 g/mol
LogP1.68
Rot. Bonds5

About N-[[1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine

N-[[1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine (PubChem CID 63809837) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is N-[[1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine
PubChem CID63809837
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC NameN-[[1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(C)c1Sc1nnc(C)o1
InChIInChI=1S/C11H17N5OS/c1-5-12-6-9-7(2)15-16(4)10(9)18-11-14-13-8(3)17-11/h12H,5-6H2,1-4H3
InChIKeySQHKLBMJKQJYOF-UHFFFAOYSA-N
XLogP1.68
TPSA68.77 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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 63808426
N-[[1,3-dimethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine
CID 106926566
1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazole-4-carboxylic acid
CID 63751459
N-[[1,3-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanylpyrazol-4-yl]methyl]ethanamine
CID 55239461
N-[[1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazol-4-yl]methyl]ethanamine
CID 107783199
N'-hydroxy-1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazole-4-carboximidamide
CID 55241744
N-[[1,3-dimethyl-5-(oxan-4-ylsulfanyl)pyrazol-4-yl]methyl]ethanamine
CID 63814686
N-[[1,3-dimethyl-5-(4-nitrophenyl)sulfanylpyrazol-4-yl]methyl]ethanamine
CID 63809238
methyl 3-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]sulfanylpropanoate
CID 55238491
1-[1,3-dimethyl-5-(1,3-oxazol-2-ylsulfanyl)pyrazol-4-yl]-N-methylmethanamine
CID 106926425
1-ethyl-3-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-amine
CID 66010949
1-(5-butylsulfanyl-1,3-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 63809428

Frequently Asked Questions

What is the IUPAC name of N-[[1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine (CID 63809837) is N-[[1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine is CCNCc1c(C)nn(C)c1Sc1nnc(C)o1.
What is the InChIKey of N-[[1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine?
The InChIKey is SQHKLBMJKQJYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-5-12-6-9-7(2)15-16(4)10(9)18-11-14-13-8(3)17-11/h12H,5-6H2,1-4H3.
What are the key properties of N-[[1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine?
N-[[1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine has a molecular weight of 267.36 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 63809837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).