3-methylsulfanyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide;hydrochloride

C18H18ClN3OS2 — CID 86775123

IUPAC3-methylsulfanyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide;hydrochloride
SMILESCSc1ccsc1C(=O)Nc1c2c(nn1-c1ccccc1)CCC2.Cl
InChIInChI=1S/C18H17N3OS2.ClH/c1-23-15-10-11-24-16(15)18(22)19-17-13-8-5-9-14(13)20-21(17)12-6-3-2-4-7-12;/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,19,22);1H
InChIKeyCYURYCIQZHKQLK-UHFFFAOYSA-N
MW391.95 g/mol
LogP4.82
Rot. Bonds4

About 3-methylsulfanyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide;hydrochloride

3-methylsulfanyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide;hydrochloride (PubChem CID 86775123) has the molecular formula C18H18ClN3OS2 and a molecular weight of 391.95 g/mol. Its IUPAC name is 3-methylsulfanyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-methylsulfanyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide;hydrochloride
PubChem CID86775123
Molecular FormulaC18H18ClN3OS2
Molecular Weight391.95 g/mol
Exact Mass391.06
IUPAC Name3-methylsulfanyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide;hydrochloride
SMILESCSc1ccsc1C(=O)Nc1c2c(nn1-c1ccccc1)CCC2.Cl
InChIInChI=1S/C18H17N3OS2.ClH/c1-23-15-10-11-24-16(15)18(22)19-17-13-8-5-9-14(13)20-21(17)12-6-3-2-4-7-12;/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,19,22);1H
InChIKeyCYURYCIQZHKQLK-UHFFFAOYSA-N
XLogP4.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.95
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methylsulfanyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide;hydrochloride 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-methylsulfanyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 3-methylsulfanyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide;hydrochloride (CID 86775123) is 3-methylsulfanyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-methylsulfanyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 3-methylsulfanyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide;hydrochloride is CSc1ccsc1C(=O)Nc1c2c(nn1-c1ccccc1)CCC2.Cl.
What is the InChIKey of 3-methylsulfanyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide;hydrochloride?
The InChIKey is CYURYCIQZHKQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS2.ClH/c1-23-15-10-11-24-16(15)18(22)19-17-13-8-5-9-14(13)20-21(17)12-6-3-2-4-7-12;/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,19,22);1H.
What are the key properties of 3-methylsulfanyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide;hydrochloride?
3-methylsulfanyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 391.95 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 86775123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).