[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate

C18H25N3O3S — CID 43048517

IUPAC[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate
SMILESCc1nn(C)c2sc(C(=O)OC(C)C(=O)NC3CCCCC3C)cc12
InChIInChI=1S/C18H25N3O3S/c1-10-7-5-6-8-14(10)19-16(22)12(3)24-18(23)15-9-13-11(2)20-21(4)17(13)25-15/h9-10,12,14H,5-8H2,1-4H3,(H,19,22)
InChIKeyWYLDKIXELKKLAI-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.18
Rot. Bonds4

About [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate

[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate (PubChem CID 43048517) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate.

Molecular Properties

Compound Name[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate
PubChem CID43048517
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate
SMILESCc1nn(C)c2sc(C(=O)OC(C)C(=O)NC3CCCCC3C)cc12
InChIInChI=1S/C18H25N3O3S/c1-10-7-5-6-8-14(10)19-16(22)12(3)24-18(23)15-9-13-11(2)20-21(4)17(13)25-15/h9-10,12,14H,5-8H2,1-4H3,(H,19,22)
InChIKeyWYLDKIXELKKLAI-UHFFFAOYSA-N
XLogP3.18
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate with MolForge

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Related Compounds

[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate
CID 11917498
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate
CID 25163565
[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 7623771
[(2S)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 98605513
[(2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 7675335
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 7415783
[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 11929976
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 7376989
[(2S)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 4-methylbenzoate
CID 11919738
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 4-formylbenzoate
CID 42972403
[(2S)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-methylbenzoate
CID 11923253
N-(2-amino-1-cyclohexylethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 119590742

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate?
The IUPAC name of [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate (CID 43048517) is [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate.
What is the SMILES notation for [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate?
The canonical SMILES for [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate is Cc1nn(C)c2sc(C(=O)OC(C)C(=O)NC3CCCCC3C)cc12.
What is the InChIKey of [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate?
The InChIKey is WYLDKIXELKKLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-10-7-5-6-8-14(10)19-16(22)12(3)24-18(23)15-9-13-11(2)20-21(4)17(13)25-15/h9-10,12,14H,5-8H2,1-4H3,(H,19,22).
What are the key properties of [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate?
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate has a molecular weight of 363.48 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate is sourced from PubChem (CID 43048517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).