4-amino-1,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-5-carboxamide

C11H18N4O3S — CID 66124389

IUPAC4-amino-1,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NC2(C)CCS(=O)(=O)C2)c1N
InChIInChI=1S/C11H18N4O3S/c1-7-8(12)9(15(3)14-7)10(16)13-11(2)4-5-19(17,18)6-11/h4-6,12H2,1-3H3,(H,13,16)
InChIKeyLTUZDYNDHGXORZ-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.38
Rot. Bonds2

About 4-amino-1,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-5-carboxamide

4-amino-1,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-5-carboxamide (PubChem CID 66124389) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 4-amino-1,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-5-carboxamide
PubChem CID66124389
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name4-amino-1,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NC2(C)CCS(=O)(=O)C2)c1N
InChIInChI=1S/C11H18N4O3S/c1-7-8(12)9(15(3)14-7)10(16)13-11(2)4-5-19(17,18)6-11/h4-6,12H2,1-3H3,(H,13,16)
InChIKeyLTUZDYNDHGXORZ-UHFFFAOYSA-N
XLogP-0.38
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-5-carboxamide (CID 66124389) is 4-amino-1,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-5-carboxamide is Cc1nn(C)c(C(=O)NC2(C)CCS(=O)(=O)C2)c1N.
What is the InChIKey of 4-amino-1,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-5-carboxamide?
The InChIKey is LTUZDYNDHGXORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-7-8(12)9(15(3)14-7)10(16)13-11(2)4-5-19(17,18)6-11/h4-6,12H2,1-3H3,(H,13,16).
What are the key properties of 4-amino-1,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-5-carboxamide?
4-amino-1,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-5-carboxamide has a molecular weight of 286.36 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 66124389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).