N-(4-cyano-1-methylpyrazol-5-yl)thiolane-3-carboxamide

C10H12N4OS — CID 79503570

IUPACN-(4-cyano-1-methylpyrazol-5-yl)thiolane-3-carboxamide
SMILESCn1ncc(C#N)c1NC(=O)C1CCSC1
InChIInChI=1S/C10H12N4OS/c1-14-9(8(4-11)5-12-14)13-10(15)7-2-3-16-6-7/h5,7H,2-3,6H2,1H3,(H,13,15)
InChIKeyLFKSNDVARZQUCT-UHFFFAOYSA-N
MW236.30 g/mol
LogP0.98
Rot. Bonds2

About N-(4-cyano-1-methylpyrazol-5-yl)thiolane-3-carboxamide

N-(4-cyano-1-methylpyrazol-5-yl)thiolane-3-carboxamide (PubChem CID 79503570) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-5-yl)thiolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)thiolane-3-carboxamide
PubChem CID79503570
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)thiolane-3-carboxamide
SMILESCn1ncc(C#N)c1NC(=O)C1CCSC1
InChIInChI=1S/C10H12N4OS/c1-14-9(8(4-11)5-12-14)13-10(15)7-2-3-16-6-7/h5,7H,2-3,6H2,1H3,(H,13,15)
InChIKeyLFKSNDVARZQUCT-UHFFFAOYSA-N
XLogP0.98
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-cyano-1-methylpyrazol-5-yl)thiolane-3-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-(4-cyano-1-methylpyrazol-5-yl)-2-(thian-4-yl)acetamide
CID 83137865
2,2,2-trichloro-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
CID 108737045
2-amino-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
CID 110470006
1-tert-butyl-3-(4-cyano-1-methylpyrazol-5-yl)urea
CID 79504321
4-cyano-N-(4-cyano-1-methylpyrazol-5-yl)benzamide
CID 112723104
N-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309878
N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 103163607
3-bromo-N-(4-cyano-1-methylpyrazol-5-yl)thiophene-2-carboxamide
CID 79503185
phenyl N-(4-cyano-1-methylpyrazol-5-yl)carbamate
CID 79503955
2-chloroethyl N-(4-cyano-1-methylpyrazol-5-yl)carbamate
CID 108737063
N-(4-cyano-1-methylpyrazol-5-yl)-3,4-dimethylbenzamide
CID 112723715
N-(4-cyano-1-methylpyrazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 113220547

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)thiolane-3-carboxamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)thiolane-3-carboxamide (CID 79503570) is N-(4-cyano-1-methylpyrazol-5-yl)thiolane-3-carboxamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)thiolane-3-carboxamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)thiolane-3-carboxamide is Cn1ncc(C#N)c1NC(=O)C1CCSC1.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)thiolane-3-carboxamide?
The InChIKey is LFKSNDVARZQUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-14-9(8(4-11)5-12-14)13-10(15)7-2-3-16-6-7/h5,7H,2-3,6H2,1H3,(H,13,15).
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)thiolane-3-carboxamide?
N-(4-cyano-1-methylpyrazol-5-yl)thiolane-3-carboxamide has a molecular weight of 236.30 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-5-yl)thiolane-3-carboxamide is sourced from PubChem (CID 79503570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).