N-(1,1-dioxothian-4-yl)-1H-pyrazole-4-carboxamide

C9H13N3O3S — CID 43615577

IUPACN-(1,1-dioxothian-4-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCS(=O)(=O)CC1)c1cn[nH]c1
InChIInChI=1S/C9H13N3O3S/c13-9(7-5-10-11-6-7)12-8-1-3-16(14,15)4-2-8/h5-6,8H,1-4H2,(H,10,11)(H,12,13)
InChIKeyVVZMHBJXXBNOGO-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.28
Rot. Bonds2

About N-(1,1-dioxothian-4-yl)-1H-pyrazole-4-carboxamide

N-(1,1-dioxothian-4-yl)-1H-pyrazole-4-carboxamide (PubChem CID 43615577) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-1H-pyrazole-4-carboxamide
PubChem CID43615577
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC NameN-(1,1-dioxothian-4-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCS(=O)(=O)CC1)c1cn[nH]c1
InChIInChI=1S/C9H13N3O3S/c13-9(7-5-10-11-6-7)12-8-1-3-16(14,15)4-2-8/h5-6,8H,1-4H2,(H,10,11)(H,12,13)
InChIKeyVVZMHBJXXBNOGO-UHFFFAOYSA-N
XLogP-0.28
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1,1-dioxothian-4-yl)-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]-1-ethylpyrazole-4-carboxamide
CID 35295125
N-[(3S)-1,1-dioxothiolan-3-yl]-1-ethylpyrazole-4-carboxamide
CID 35295132
5-amino-N-(1,1-dioxothiolan-3-yl)-1H-pyrazole-4-carboxamide
CID 43159516
N-(1,1-dioxothiolan-3-yl)-1H-pyrazole-4-carboxamide
CID 43533019
4-methylsulfonyl-2-(1H-pyrazole-4-carbonylamino)butanoic acid
CID 43565621
1H-pyrazol-4-yl(thiomorpholin-4-yl)methanone
CID 43581948
N-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-carboxamide
CID 43582039
(1,1-dioxo-1,4-thiazinan-4-yl)-(1H-pyrazol-4-yl)methanone
CID 43582189
N-(2-sulfamoylethyl)-1H-pyrazole-4-carboxamide
CID 43582888
5-amino-N-(1,1-dioxothian-4-yl)-1H-pyrazole-4-carboxamide
CID 43615545
N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
CID 43629004
N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-pyrazole-4-carboxamide
CID 43649066

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(1,1-dioxothian-4-yl)-1H-pyrazole-4-carboxamide (CID 43615577) is N-(1,1-dioxothian-4-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-1H-pyrazole-4-carboxamide is O=C(NC1CCS(=O)(=O)CC1)c1cn[nH]c1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is VVZMHBJXXBNOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c13-9(7-5-10-11-6-7)12-8-1-3-16(14,15)4-2-8/h5-6,8H,1-4H2,(H,10,11)(H,12,13).
What are the key properties of N-(1,1-dioxothian-4-yl)-1H-pyrazole-4-carboxamide?
N-(1,1-dioxothian-4-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 243.29 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43615577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).