4-amino-3-ethyl-1-methyl-N-[(2-methylthiolan-2-yl)methyl]pyrazole-5-carboxamide

C13H22N4OS — CID 80726238

IUPAC4-amino-3-ethyl-1-methyl-N-[(2-methylthiolan-2-yl)methyl]pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCC2(C)CCCS2)c1N
InChIInChI=1S/C13H22N4OS/c1-4-9-10(14)11(17(3)16-9)12(18)15-8-13(2)6-5-7-19-13/h4-8,14H2,1-3H3,(H,15,18)
InChIKeyQNPKXEIPGBTYJM-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.58
Rot. Bonds4

About 4-amino-3-ethyl-1-methyl-N-[(2-methylthiolan-2-yl)methyl]pyrazole-5-carboxamide

4-amino-3-ethyl-1-methyl-N-[(2-methylthiolan-2-yl)methyl]pyrazole-5-carboxamide (PubChem CID 80726238) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-amino-3-ethyl-1-methyl-N-[(2-methylthiolan-2-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-ethyl-1-methyl-N-[(2-methylthiolan-2-yl)methyl]pyrazole-5-carboxamide
PubChem CID80726238
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name4-amino-3-ethyl-1-methyl-N-[(2-methylthiolan-2-yl)methyl]pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCC2(C)CCCS2)c1N
InChIInChI=1S/C13H22N4OS/c1-4-9-10(14)11(17(3)16-9)12(18)15-8-13(2)6-5-7-19-13/h4-8,14H2,1-3H3,(H,15,18)
InChIKeyQNPKXEIPGBTYJM-UHFFFAOYSA-N
XLogP1.58
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethyl-1-methyl-N-[(2-methylthiolan-2-yl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-3-ethyl-1-methyl-N-[(2-methylthiolan-2-yl)methyl]pyrazole-5-carboxamide (CID 80726238) is 4-amino-3-ethyl-1-methyl-N-[(2-methylthiolan-2-yl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-ethyl-1-methyl-N-[(2-methylthiolan-2-yl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-3-ethyl-1-methyl-N-[(2-methylthiolan-2-yl)methyl]pyrazole-5-carboxamide is CCc1nn(C)c(C(=O)NCC2(C)CCCS2)c1N.
What is the InChIKey of 4-amino-3-ethyl-1-methyl-N-[(2-methylthiolan-2-yl)methyl]pyrazole-5-carboxamide?
The InChIKey is QNPKXEIPGBTYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-4-9-10(14)11(17(3)16-9)12(18)15-8-13(2)6-5-7-19-13/h4-8,14H2,1-3H3,(H,15,18).
What are the key properties of 4-amino-3-ethyl-1-methyl-N-[(2-methylthiolan-2-yl)methyl]pyrazole-5-carboxamide?
4-amino-3-ethyl-1-methyl-N-[(2-methylthiolan-2-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-1-methyl-N-[(2-methylthiolan-2-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 80726238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).