N-[(3R)-1,1-dioxothiolan-3-yl]-1,5-dimethylpyrazole-4-carboxamide

C10H15N3O3S — CID 94550055

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N[C@@H]2CCS(=O)(=O)C2)cnn1C
InChIInChI=1S/C10H15N3O3S/c1-7-9(5-11-13(7)2)10(14)12-8-3-4-17(15,16)6-8/h5,8H,3-4,6H2,1-2H3,(H,12,14)/t8-/m1/s1
InChIKeyOOEDAGDRAQHSAZ-MRVPVSSYSA-N
MW257.31 g/mol
LogP-0.35
Rot. Bonds2

About N-[(3R)-1,1-dioxothiolan-3-yl]-1,5-dimethylpyrazole-4-carboxamide

N-[(3R)-1,1-dioxothiolan-3-yl]-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 94550055) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-1,5-dimethylpyrazole-4-carboxamide
PubChem CID94550055
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N[C@@H]2CCS(=O)(=O)C2)cnn1C
InChIInChI=1S/C10H15N3O3S/c1-7-9(5-11-13(7)2)10(14)12-8-3-4-17(15,16)6-8/h5,8H,3-4,6H2,1-2H3,(H,12,14)/t8-/m1/s1
InChIKeyOOEDAGDRAQHSAZ-MRVPVSSYSA-N
XLogP-0.35
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(azetidin-3-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 66187230
N-(1,1-dioxothiolan-3-yl)-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691263
N-cyclopentyl-1-(1,1-dioxothiolan-3-yl)-5-methylpyrazole-4-carboxamide
CID 75357656
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60807901
N-(1,1-dioxothiolan-3-yl)-5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 42942017
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
CID 79578518
5-amino-N-(1,1-dioxothiolan-3-yl)-2-methylpyridine-3-carboxamide
CID 54917004
1,5-dimethyl-N-(1-phenylpiperidin-4-yl)pyrazole-4-carboxamide
CID 86828696
2-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259720
5-amino-N-(1,1-dioxothiolan-3-yl)-2,4-dimethylbenzamide
CID 102704893
N-[(3S)-1,1-dioxothiolan-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 97264964
2-amino-N-(1,1-dioxothiolan-3-yl)-5-methylbenzamide
CID 62073959

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-1,5-dimethylpyrazole-4-carboxamide (CID 94550055) is N-[(3R)-1,1-dioxothiolan-3-yl]-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)N[C@@H]2CCS(=O)(=O)C2)cnn1C.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is OOEDAGDRAQHSAZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-7-9(5-11-13(7)2)10(14)12-8-3-4-17(15,16)6-8/h5,8H,3-4,6H2,1-2H3,(H,12,14)/t8-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-1,5-dimethylpyrazole-4-carboxamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 257.31 g/mol, XLogP of -0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 94550055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).