3-methylsulfanyl-2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole

C13H14N2S — CID 83871888

IUPAC3-methylsulfanyl-2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESCSc1c2c(nn1-c1ccccc1)CCC2
InChIInChI=1S/C13H14N2S/c1-16-13-11-8-5-9-12(11)14-15(13)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKeyORURCBUJJVZUSX-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.08
Rot. Bonds2

About 3-methylsulfanyl-2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole

3-methylsulfanyl-2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole (PubChem CID 83871888) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 3-methylsulfanyl-2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole.

Molecular Properties

Compound Name3-methylsulfanyl-2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole
PubChem CID83871888
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name3-methylsulfanyl-2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESCSc1c2c(nn1-c1ccccc1)CCC2
InChIInChI=1S/C13H14N2S/c1-16-13-11-8-5-9-12(11)14-15(13)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKeyORURCBUJJVZUSX-UHFFFAOYSA-N
XLogP3.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylsulfanyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide;hydrochloride
CID 86775123
3,4-difluoro-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
CID 43036733
[2-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)phenyl] carbamate
CID 175108607
2-(3-methyl-5-methylsulfanyl-1-phenylpyrazol-4-yl)ethanamine
CID 63818020
2-[methyl(methylsulfonyl)amino]-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
CID 51078002
4-[3-(methylamino)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]phenol
CID 83862475
2-chloro-4-fluoro-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
CID 30007109
4,5-dichloro-1-methyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pyrrole-2-carboxamide
CID 56808607
2-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 65348604
2-(4-bromophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
CID 65348552
2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 65348458
2-(2-ethylphenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
CID 55412161

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The IUPAC name of 3-methylsulfanyl-2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole (CID 83871888) is 3-methylsulfanyl-2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole.
What is the SMILES notation for 3-methylsulfanyl-2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The canonical SMILES for 3-methylsulfanyl-2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole is CSc1c2c(nn1-c1ccccc1)CCC2.
What is the InChIKey of 3-methylsulfanyl-2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The InChIKey is ORURCBUJJVZUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-16-13-11-8-5-9-12(11)14-15(13)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3.
What are the key properties of 3-methylsulfanyl-2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole?
3-methylsulfanyl-2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole has a molecular weight of 230.34 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole is sourced from PubChem (CID 83871888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).