4-amino-1-ethyl-3-methyl-N-(2-methylsulfanylpropyl)pyrazole-5-carboxamide

C11H20N4OS — CID 113466215

IUPAC4-amino-1-ethyl-3-methyl-N-(2-methylsulfanylpropyl)pyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)NCC(C)SC
InChIInChI=1S/C11H20N4OS/c1-5-15-10(9(12)8(3)14-15)11(16)13-6-7(2)17-4/h7H,5-6,12H2,1-4H3,(H,13,16)
InChIKeyYNQZHNCDFWBTEI-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.27
Rot. Bonds5

About 4-amino-1-ethyl-3-methyl-N-(2-methylsulfanylpropyl)pyrazole-5-carboxamide

4-amino-1-ethyl-3-methyl-N-(2-methylsulfanylpropyl)pyrazole-5-carboxamide (PubChem CID 113466215) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-amino-1-ethyl-3-methyl-N-(2-methylsulfanylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-3-methyl-N-(2-methylsulfanylpropyl)pyrazole-5-carboxamide
PubChem CID113466215
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name4-amino-1-ethyl-3-methyl-N-(2-methylsulfanylpropyl)pyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)NCC(C)SC
InChIInChI=1S/C11H20N4OS/c1-5-15-10(9(12)8(3)14-15)11(16)13-6-7(2)17-4/h7H,5-6,12H2,1-4H3,(H,13,16)
InChIKeyYNQZHNCDFWBTEI-UHFFFAOYSA-N
XLogP1.27
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-3-methyl-N-(2-methylsulfanylpropyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-3-methyl-N-(2-methylsulfanylpropyl)pyrazole-5-carboxamide (CID 113466215) is 4-amino-1-ethyl-3-methyl-N-(2-methylsulfanylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-3-methyl-N-(2-methylsulfanylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-3-methyl-N-(2-methylsulfanylpropyl)pyrazole-5-carboxamide is CCn1nc(C)c(N)c1C(=O)NCC(C)SC.
What is the InChIKey of 4-amino-1-ethyl-3-methyl-N-(2-methylsulfanylpropyl)pyrazole-5-carboxamide?
The InChIKey is YNQZHNCDFWBTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-5-15-10(9(12)8(3)14-15)11(16)13-6-7(2)17-4/h7H,5-6,12H2,1-4H3,(H,13,16).
What are the key properties of 4-amino-1-ethyl-3-methyl-N-(2-methylsulfanylpropyl)pyrazole-5-carboxamide?
4-amino-1-ethyl-3-methyl-N-(2-methylsulfanylpropyl)pyrazole-5-carboxamide has a molecular weight of 256.37 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-3-methyl-N-(2-methylsulfanylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 113466215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).