N-[3-tert-butyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

C19H25N5O3S2 — CID 43042316

IUPACN-[3-tert-butyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)Nc3cc(C(C)(C)C)nn3C3CCS(=O)(=O)C3)cc12
InChIInChI=1S/C19H25N5O3S2/c1-11-13-8-14(28-18(13)23(5)21-11)17(25)20-16-9-15(19(2,3)4)22-24(16)12-6-7-29(26,27)10-12/h8-9,12H,6-7,10H2,1-5H3,(H,20,25)
InChIKeyOXWVEAUGXVKGDF-UHFFFAOYSA-N
MW435.58 g/mol
LogP3.05
Rot. Bonds3

About N-[3-tert-butyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

N-[3-tert-butyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 43042316) has the molecular formula C19H25N5O3S2 and a molecular weight of 435.58 g/mol. Its IUPAC name is N-[3-tert-butyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-tert-butyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID43042316
Molecular FormulaC19H25N5O3S2
Molecular Weight435.58 g/mol
Exact Mass435.14
IUPAC NameN-[3-tert-butyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)Nc3cc(C(C)(C)C)nn3C3CCS(=O)(=O)C3)cc12
InChIInChI=1S/C19H25N5O3S2/c1-11-13-8-14(28-18(13)23(5)21-11)17(25)20-16-9-15(19(2,3)4)22-24(16)12-6-7-29(26,27)10-12/h8-9,12H,6-7,10H2,1-5H3,(H,20,25)
InChIKeyOXWVEAUGXVKGDF-UHFFFAOYSA-N
XLogP3.05
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.58
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[3-tert-butyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (CID 43042316) is N-[3-tert-butyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-tert-butyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[3-tert-butyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C)c2sc(C(=O)Nc3cc(C(C)(C)C)nn3C3CCS(=O)(=O)C3)cc12.
What is the InChIKey of N-[3-tert-butyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is OXWVEAUGXVKGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3S2/c1-11-13-8-14(28-18(13)23(5)21-11)17(25)20-16-9-15(19(2,3)4)22-24(16)12-6-7-29(26,27)10-12/h8-9,12H,6-7,10H2,1-5H3,(H,20,25).
What are the key properties of N-[3-tert-butyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
N-[3-tert-butyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 435.58 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-tert-butyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 43042316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).