1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea

C19H24N4O4S — CID 142587969

IUPAC1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea
SMILESC[C@H](CO)n1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1
InChIInChI=1S/C19H24N4O4S/c1-12(11-24)23-9-8-17(21-23)28(26,27)22-19(25)20-18-15-6-2-4-13(15)10-14-5-3-7-16(14)18/h8-10,12,24H,2-7,11H2,1H3,(H2,20,22,25)/t12-/m1/s1
InChIKeyCZXYUYSBSNIVHP-GFCCVEGCSA-N
MW404.49 g/mol
LogP1.92
Rot. Bonds5

About 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea (PubChem CID 142587969) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea.

Molecular Properties

Compound Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea
PubChem CID142587969
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea
SMILESC[C@H](CO)n1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1
InChIInChI=1S/C19H24N4O4S/c1-12(11-24)23-9-8-17(21-23)28(26,27)22-19(25)20-18-15-6-2-4-13(15)10-14-5-3-7-16(14)18/h8-10,12,24H,2-7,11H2,1H3,(H2,20,22,25)/t12-/m1/s1
InChIKeyCZXYUYSBSNIVHP-GFCCVEGCSA-N
XLogP1.92
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea?
The IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea (CID 142587969) is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea.
What is the SMILES notation for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea?
The canonical SMILES for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea is C[C@H](CO)n1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.
What is the InChIKey of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea?
The InChIKey is CZXYUYSBSNIVHP-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-12(11-24)23-9-8-17(21-23)28(26,27)22-19(25)20-18-15-6-2-4-13(15)10-14-5-3-7-16(14)18/h8-10,12,24H,2-7,11H2,1H3,(H2,20,22,25)/t12-/m1/s1.
What are the key properties of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea?
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea has a molecular weight of 404.49 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea is sourced from PubChem (CID 142587969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).