N-[2-(1H-imidazol-2-yl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

C13H15N5OS — CID 115649621

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)NCCc3ncc[nH]3)cc12
InChIInChI=1S/C13H15N5OS/c1-8-9-7-10(20-13(9)18(2)17-8)12(19)16-4-3-11-14-5-6-15-11/h5-7H,3-4H2,1-2H3,(H,14,15)(H,16,19)
InChIKeyRDERRBUWIXVKLN-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.64
Rot. Bonds4

About N-[2-(1H-imidazol-2-yl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

N-[2-(1H-imidazol-2-yl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 115649621) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID115649621
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)NCCc3ncc[nH]3)cc12
InChIInChI=1S/C13H15N5OS/c1-8-9-7-10(20-13(9)18(2)17-8)12(19)16-4-3-11-14-5-6-15-11/h5-7H,3-4H2,1-2H3,(H,14,15)(H,16,19)
InChIKeyRDERRBUWIXVKLN-UHFFFAOYSA-N
XLogP1.64
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (CID 115649621) is N-[2-(1H-imidazol-2-yl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C)c2sc(C(=O)NCCc3ncc[nH]3)cc12.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is RDERRBUWIXVKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c1-8-9-7-10(20-13(9)18(2)17-8)12(19)16-4-3-11-14-5-6-15-11/h5-7H,3-4H2,1-2H3,(H,14,15)(H,16,19).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
N-[2-(1H-imidazol-2-yl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 115649621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).