1-(3-chloro-2-fluorophenyl)-N-methylsulfonyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C14H13ClFN3O3S — CID 167951021

IUPAC1-(3-chloro-2-fluorophenyl)-N-methylsulfonyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCS(=O)(=O)NC(=O)c1nn(-c2cccc(Cl)c2F)c2c1CCC2
InChIInChI=1S/C14H13ClFN3O3S/c1-23(21,22)18-14(20)13-8-4-2-6-10(8)19(17-13)11-7-3-5-9(15)12(11)16/h3,5,7H,2,4,6H2,1H3,(H,18,20)
InChIKeyLIVXLGVHWKWUEA-UHFFFAOYSA-N
MW357.79 g/mol
LogP1.84
Rot. Bonds3

About 1-(3-chloro-2-fluorophenyl)-N-methylsulfonyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

1-(3-chloro-2-fluorophenyl)-N-methylsulfonyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 167951021) has the molecular formula C14H13ClFN3O3S and a molecular weight of 357.79 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-N-methylsulfonyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-N-methylsulfonyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID167951021
Molecular FormulaC14H13ClFN3O3S
Molecular Weight357.79 g/mol
Exact Mass357.04
IUPAC Name1-(3-chloro-2-fluorophenyl)-N-methylsulfonyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCS(=O)(=O)NC(=O)c1nn(-c2cccc(Cl)c2F)c2c1CCC2
InChIInChI=1S/C14H13ClFN3O3S/c1-23(21,22)18-14(20)13-8-4-2-6-10(8)19(17-13)11-7-3-5-9(15)12(11)16/h3,5,7H,2,4,6H2,1H3,(H,18,20)
InChIKeyLIVXLGVHWKWUEA-UHFFFAOYSA-N
XLogP1.84
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-methylsulfonyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-methylsulfonyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 167951021) is 1-(3-chloro-2-fluorophenyl)-N-methylsulfonyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-N-methylsulfonyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-N-methylsulfonyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is CS(=O)(=O)NC(=O)c1nn(-c2cccc(Cl)c2F)c2c1CCC2.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-N-methylsulfonyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is LIVXLGVHWKWUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O3S/c1-23(21,22)18-14(20)13-8-4-2-6-10(8)19(17-13)11-7-3-5-9(15)12(11)16/h3,5,7H,2,4,6H2,1H3,(H,18,20).
What are the key properties of 1-(3-chloro-2-fluorophenyl)-N-methylsulfonyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(3-chloro-2-fluorophenyl)-N-methylsulfonyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 357.79 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-N-methylsulfonyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 167951021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).