N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide

C11H17N9OS — CID 133265554

IUPACN-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
SMILESCSc1ncc(CNC(=O)C2CNNC2n2cnnn2)n1C
InChIInChI=1S/C11H17N9OS/c1-19-7(4-13-11(19)22-2)3-12-10(21)8-5-14-16-9(8)20-6-15-17-18-20/h4,6,8-9,14,16H,3,5H2,1-2H3,(H,12,21)
InChIKeyDHIQGIJFEIDFCM-UHFFFAOYSA-N
MW323.39 g/mol
LogP-1.33
Rot. Bonds5

About N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide

N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide (PubChem CID 133265554) has the molecular formula C11H17N9OS and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
PubChem CID133265554
Molecular FormulaC11H17N9OS
Molecular Weight323.39 g/mol
Exact Mass323.13
IUPAC NameN-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
SMILESCSc1ncc(CNC(=O)C2CNNC2n2cnnn2)n1C
InChIInChI=1S/C11H17N9OS/c1-19-7(4-13-11(19)22-2)3-12-10(21)8-5-14-16-9(8)20-6-15-17-18-20/h4,6,8-9,14,16H,3,5H2,1-2H3,(H,12,21)
InChIKeyDHIQGIJFEIDFCM-UHFFFAOYSA-N
XLogP-1.33
TPSA114.58 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-(tetrazol-1-yl)pyrazolidine-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

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide?
The IUPAC name of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide (CID 133265554) is N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide.
What is the SMILES notation for N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide?
The canonical SMILES for N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide is CSc1ncc(CNC(=O)C2CNNC2n2cnnn2)n1C.
What is the InChIKey of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide?
The InChIKey is DHIQGIJFEIDFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N9OS/c1-19-7(4-13-11(19)22-2)3-12-10(21)8-5-14-16-9(8)20-6-15-17-18-20/h4,6,8-9,14,16H,3,5H2,1-2H3,(H,12,21).
What are the key properties of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide?
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide has a molecular weight of 323.39 g/mol, XLogP of -1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide is sourced from PubChem (CID 133265554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).