1-(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonyl-N-(3,4-difluorophenyl)-4-phenylpyrrolidin-3-amine

C25H28F2N4O2S — CID 90405115

IUPAC1-(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonyl-N-(3,4-difluorophenyl)-4-phenylpyrrolidin-3-amine
SMILESCc1nn(C2CCCC2)cc1S(=O)(=O)N1CC(Nc2ccc(F)c(F)c2)C(c2ccccc2)C1
InChIInChI=1S/C25H28F2N4O2S/c1-17-25(16-31(29-17)20-9-5-6-10-20)34(32,33)30-14-21(18-7-3-2-4-8-18)24(15-30)28-19-11-12-22(26)23(27)13-19/h2-4,7-8,11-13,16,20-21,24,28H,5-6,9-10,14-15H2,1H3
InChIKeyLWPIHPFWIUXCOB-UHFFFAOYSA-N
MW486.59 g/mol
LogP4.85
Rot. Bonds6

About 1-(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonyl-N-(3,4-difluorophenyl)-4-phenylpyrrolidin-3-amine

1-(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonyl-N-(3,4-difluorophenyl)-4-phenylpyrrolidin-3-amine (PubChem CID 90405115) has the molecular formula C25H28F2N4O2S and a molecular weight of 486.59 g/mol. Its IUPAC name is 1-(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonyl-N-(3,4-difluorophenyl)-4-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonyl-N-(3,4-difluorophenyl)-4-phenylpyrrolidin-3-amine
PubChem CID90405115
Molecular FormulaC25H28F2N4O2S
Molecular Weight486.59 g/mol
Exact Mass486.19
IUPAC Name1-(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonyl-N-(3,4-difluorophenyl)-4-phenylpyrrolidin-3-amine
SMILESCc1nn(C2CCCC2)cc1S(=O)(=O)N1CC(Nc2ccc(F)c(F)c2)C(c2ccccc2)C1
InChIInChI=1S/C25H28F2N4O2S/c1-17-25(16-31(29-17)20-9-5-6-10-20)34(32,33)30-14-21(18-7-3-2-4-8-18)24(15-30)28-19-11-12-22(26)23(27)13-19/h2-4,7-8,11-13,16,20-21,24,28H,5-6,9-10,14-15H2,1H3
InChIKeyLWPIHPFWIUXCOB-UHFFFAOYSA-N
XLogP4.85
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonyl-N-(3,4-difluorophenyl)-4-phenylpyrrolidin-3-amine?
The IUPAC name of 1-(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonyl-N-(3,4-difluorophenyl)-4-phenylpyrrolidin-3-amine (CID 90405115) is 1-(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonyl-N-(3,4-difluorophenyl)-4-phenylpyrrolidin-3-amine.
What is the SMILES notation for 1-(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonyl-N-(3,4-difluorophenyl)-4-phenylpyrrolidin-3-amine?
The canonical SMILES for 1-(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonyl-N-(3,4-difluorophenyl)-4-phenylpyrrolidin-3-amine is Cc1nn(C2CCCC2)cc1S(=O)(=O)N1CC(Nc2ccc(F)c(F)c2)C(c2ccccc2)C1.
What is the InChIKey of 1-(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonyl-N-(3,4-difluorophenyl)-4-phenylpyrrolidin-3-amine?
The InChIKey is LWPIHPFWIUXCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N4O2S/c1-17-25(16-31(29-17)20-9-5-6-10-20)34(32,33)30-14-21(18-7-3-2-4-8-18)24(15-30)28-19-11-12-22(26)23(27)13-19/h2-4,7-8,11-13,16,20-21,24,28H,5-6,9-10,14-15H2,1H3.
What are the key properties of 1-(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonyl-N-(3,4-difluorophenyl)-4-phenylpyrrolidin-3-amine?
1-(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonyl-N-(3,4-difluorophenyl)-4-phenylpyrrolidin-3-amine has a molecular weight of 486.59 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonyl-N-(3,4-difluorophenyl)-4-phenylpyrrolidin-3-amine is sourced from PubChem (CID 90405115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).