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

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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).