N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

C15H20N4OS — CID 119457590

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)NC3CC4CCC(C3)N4)cc12
InChIInChI=1S/C15H20N4OS/c1-8-12-7-13(21-15(12)19(2)18-8)14(20)17-11-5-9-3-4-10(6-11)16-9/h7,9-11,16H,3-6H2,1-2H3,(H,17,20)
InChIKeyOVXHKGNEYSBBAJ-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.96
Rot. Bonds2

About N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 119457590) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID119457590
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)NC3CC4CCC(C3)N4)cc12
InChIInChI=1S/C15H20N4OS/c1-8-12-7-13(21-15(12)19(2)18-8)14(20)17-11-5-9-3-4-10(6-11)16-9/h7,9-11,16H,3-6H2,1-2H3,(H,17,20)
InChIKeyOVXHKGNEYSBBAJ-UHFFFAOYSA-N
XLogP1.96
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide with MolForge

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Related Compounds

N-[1-(8-azabicyclo[3.2.1]octan-3-ylamino)-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119459657
N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60708571
4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79192218
N-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 119639503
N-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119639502
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride
CID 119458545
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 98614377
N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60706910
1,3-dimethyl-N-(pyrrolidin-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 119512490
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95286876
N-(2-amino-1-cyclohexylethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 119590742
1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 44821658

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (CID 119457590) is N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C)c2sc(C(=O)NC3CC4CCC(C3)N4)cc12.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is OVXHKGNEYSBBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-8-12-7-13(21-15(12)19(2)18-8)14(20)17-11-5-9-3-4-10(6-11)16-9/h7,9-11,16H,3-6H2,1-2H3,(H,17,20).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 119457590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).