1-(5-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea

C19H23FN4O3S — CID 151566512

IUPAC1-(5-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
SMILESCC(C)n1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1F
InChIInChI=1S/C19H23FN4O3S/c1-11(2)24-16(20)10-17(22-24)28(26,27)23-19(25)21-18-14-7-3-5-12(14)9-13-6-4-8-15(13)18/h9-11H,3-8H2,1-2H3,(H2,21,23,25)
InChIKeyQDNVBBYZSJQDIH-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.09
Rot. Bonds4

About 1-(5-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea

1-(5-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea (PubChem CID 151566512) has the molecular formula C19H23FN4O3S and a molecular weight of 406.48 g/mol. Its IUPAC name is 1-(5-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea.

Molecular Properties

Compound Name1-(5-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
PubChem CID151566512
Molecular FormulaC19H23FN4O3S
Molecular Weight406.48 g/mol
Exact Mass406.15
IUPAC Name1-(5-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
SMILESCC(C)n1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1F
InChIInChI=1S/C19H23FN4O3S/c1-11(2)24-16(20)10-17(22-24)28(26,27)23-19(25)21-18-14-7-3-5-12(14)9-13-6-4-8-15(13)18/h9-11H,3-8H2,1-2H3,(H2,21,23,25)
InChIKeyQDNVBBYZSJQDIH-UHFFFAOYSA-N
XLogP3.09
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The IUPAC name of 1-(5-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea (CID 151566512) is 1-(5-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea.
What is the SMILES notation for 1-(5-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The canonical SMILES for 1-(5-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea is CC(C)n1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1F.
What is the InChIKey of 1-(5-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The InChIKey is QDNVBBYZSJQDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3S/c1-11(2)24-16(20)10-17(22-24)28(26,27)23-19(25)21-18-14-7-3-5-12(14)9-13-6-4-8-15(13)18/h9-11H,3-8H2,1-2H3,(H2,21,23,25).
What are the key properties of 1-(5-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
1-(5-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea has a molecular weight of 406.48 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea is sourced from PubChem (CID 151566512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).