3-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide

C18H23N5OS — CID 51127316

IUPAC3-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(CC(C)C)c2sc(C(=O)Nc3c4c(nn3C)CCC4)cc12
InChIInChI=1S/C18H23N5OS/c1-10(2)9-23-18-13(11(3)20-23)8-15(25-18)17(24)19-16-12-6-5-7-14(12)21-22(16)4/h8,10H,5-7,9H2,1-4H3,(H,19,24)
InChIKeyCBLHNTATYAUWOD-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.54
Rot. Bonds4

About 3-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide

3-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 51127316) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is 3-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID51127316
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC Name3-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(CC(C)C)c2sc(C(=O)Nc3c4c(nn3C)CCC4)cc12
InChIInChI=1S/C18H23N5OS/c1-10(2)9-23-18-13(11(3)20-23)8-15(25-18)17(24)19-16-12-6-5-7-14(12)21-22(16)4/h8,10H,5-7,9H2,1-4H3,(H,19,24)
InChIKeyCBLHNTATYAUWOD-UHFFFAOYSA-N
XLogP3.54
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-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 3-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 3-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 51127316) is 3-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(CC(C)C)c2sc(C(=O)Nc3c4c(nn3C)CCC4)cc12.
What is the InChIKey of 3-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is CBLHNTATYAUWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS/c1-10(2)9-23-18-13(11(3)20-23)8-15(25-18)17(24)19-16-12-6-5-7-14(12)21-22(16)4/h8,10H,5-7,9H2,1-4H3,(H,19,24).
What are the key properties of 3-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide?
3-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 51127316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).