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

C12H22N4OS — CID 113493841

IUPAC4-amino-1-ethyl-3-methyl-N-(3-methylsulfanylbutyl)pyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)NCCC(C)SC
InChIInChI=1S/C12H22N4OS/c1-5-16-11(10(13)9(3)15-16)12(17)14-7-6-8(2)18-4/h8H,5-7,13H2,1-4H3,(H,14,17)
InChIKeyRBIFRMMCCBTFGM-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.67
Rot. Bonds6

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

4-amino-1-ethyl-3-methyl-N-(3-methylsulfanylbutyl)pyrazole-5-carboxamide (PubChem CID 113493841) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 4-amino-1-ethyl-3-methyl-N-(3-methylsulfanylbutyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-3-methyl-N-(3-methylsulfanylbutyl)pyrazole-5-carboxamide
PubChem CID113493841
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name4-amino-1-ethyl-3-methyl-N-(3-methylsulfanylbutyl)pyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)NCCC(C)SC
InChIInChI=1S/C12H22N4OS/c1-5-16-11(10(13)9(3)15-16)12(17)14-7-6-8(2)18-4/h8H,5-7,13H2,1-4H3,(H,14,17)
InChIKeyRBIFRMMCCBTFGM-UHFFFAOYSA-N
XLogP1.67
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.67
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-(3-methylsulfanylbutyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-3-methyl-N-(3-methylsulfanylbutyl)pyrazole-5-carboxamide (CID 113493841) is 4-amino-1-ethyl-3-methyl-N-(3-methylsulfanylbutyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-3-methyl-N-(3-methylsulfanylbutyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-3-methyl-N-(3-methylsulfanylbutyl)pyrazole-5-carboxamide is CCn1nc(C)c(N)c1C(=O)NCCC(C)SC.
What is the InChIKey of 4-amino-1-ethyl-3-methyl-N-(3-methylsulfanylbutyl)pyrazole-5-carboxamide?
The InChIKey is RBIFRMMCCBTFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-5-16-11(10(13)9(3)15-16)12(17)14-7-6-8(2)18-4/h8H,5-7,13H2,1-4H3,(H,14,17).
What are the key properties of 4-amino-1-ethyl-3-methyl-N-(3-methylsulfanylbutyl)pyrazole-5-carboxamide?
4-amino-1-ethyl-3-methyl-N-(3-methylsulfanylbutyl)pyrazole-5-carboxamide has a molecular weight of 270.40 g/mol, XLogP of 1.67, 6 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-(3-methylsulfanylbutyl)pyrazole-5-carboxamide is sourced from PubChem (CID 113493841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).