N-cyclopentyl-2-[4-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]pyrazol-1-yl]acetamide

C18H20F2N4O2S — CID 49055255

IUPACN-cyclopentyl-2-[4-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]pyrazol-1-yl]acetamide
SMILESO=C(CSc1ccc(F)c(F)c1)Nc1cnn(CC(=O)NC2CCCC2)c1
InChIInChI=1S/C18H20F2N4O2S/c19-15-6-5-14(7-16(15)20)27-11-18(26)23-13-8-21-24(9-13)10-17(25)22-12-3-1-2-4-12/h5-9,12H,1-4,10-11H2,(H,22,25)(H,23,26)
InChIKeyQMKDJKAWHLBFGD-UHFFFAOYSA-N
MW394.45 g/mol
LogP2.95
Rot. Bonds7

About N-cyclopentyl-2-[4-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]pyrazol-1-yl]acetamide

N-cyclopentyl-2-[4-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]pyrazol-1-yl]acetamide (PubChem CID 49055255) has the molecular formula C18H20F2N4O2S and a molecular weight of 394.45 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]pyrazol-1-yl]acetamide
PubChem CID49055255
Molecular FormulaC18H20F2N4O2S
Molecular Weight394.45 g/mol
Exact Mass394.13
IUPAC NameN-cyclopentyl-2-[4-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]pyrazol-1-yl]acetamide
SMILESO=C(CSc1ccc(F)c(F)c1)Nc1cnn(CC(=O)NC2CCCC2)c1
InChIInChI=1S/C18H20F2N4O2S/c19-15-6-5-14(7-16(15)20)27-11-18(26)23-13-8-21-24(9-13)10-17(25)22-12-3-1-2-4-12/h5-9,12H,1-4,10-11H2,(H,22,25)(H,23,26)
InChIKeyQMKDJKAWHLBFGD-UHFFFAOYSA-N
XLogP2.95
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]pyrazol-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[4-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]pyrazol-1-yl]acetamide (CID 49055255) is N-cyclopentyl-2-[4-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[4-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]pyrazol-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[4-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]pyrazol-1-yl]acetamide is O=C(CSc1ccc(F)c(F)c1)Nc1cnn(CC(=O)NC2CCCC2)c1.
What is the InChIKey of N-cyclopentyl-2-[4-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]pyrazol-1-yl]acetamide?
The InChIKey is QMKDJKAWHLBFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O2S/c19-15-6-5-14(7-16(15)20)27-11-18(26)23-13-8-21-24(9-13)10-17(25)22-12-3-1-2-4-12/h5-9,12H,1-4,10-11H2,(H,22,25)(H,23,26).
What are the key properties of N-cyclopentyl-2-[4-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]pyrazol-1-yl]acetamide?
N-cyclopentyl-2-[4-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]pyrazol-1-yl]acetamide has a molecular weight of 394.45 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 49055255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).