1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclohexylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclopropylpyrazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)sulfonylurea

C99H122N20O15S5 — CID 162007643

IUPAC1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclohexylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclopropylpyrazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)sulfonylurea
SMILESCC(C)(C)n1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.CC(C)n1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cn1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccn(C2CC2)n1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccn(C2CCCCC2)n1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cnn(C2CC2)c1
InChIInChI=1S/C22H28N4O3S.C20H26N4O3S.2C19H22N4O3S.C19H24N4O3S/c27-22(23-21-18-10-4-6-15(18)14-16-7-5-11-19(16)21)25-30(28,29)20-12-13-26(24-20)17-8-2-1-3-9-17;1-20(2,3)24-11-10-17(22-24)28(26,27)23-19(25)21-18-15-8-4-6-13(15)12-14-7-5-9-16(14)18;24-19(22-27(25,26)15-10-20-23(11-15)14-7-8-14)21-18-16-5-1-3-12(16)9-13-4-2-6-17(13)18;24-19(22-27(25,26)17-9-10-23(21-17)14-7-8-14)20-18-15-5-1-3-12(15)11-13-4-2-6-16(13)18;1-12(2)23-11-15(10-20-23)27(25,26)22-19(24)21-18-16-7-3-5-13(16)9-14-6-4-8-17(14)18/h12-14,17H,1-11H2,(H2,23,25,27);10-12H,4-9H2,1-3H3,(H2,21,23,25);9-11,14H,1-8H2,(H2,21,22,24);9-11,14H,1-8H2,(H2,20,22,24);9-12H,3-8H2,1-2H3,(H2,21,22,24)
InChIKeyYTAXKIIKKPAMFP-UHFFFAOYSA-N
MW1992.52 g/mol
LogP15.37
Rot. Bonds19

About 1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclohexylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclopropylpyrazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)sulfonylurea

1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclohexylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclopropylpyrazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)sulfonylurea (PubChem CID 162007643) has the molecular formula C99H122N20O15S5 and a molecular weight of 1992.52 g/mol. Its IUPAC name is 1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclohexylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclopropylpyrazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)sulfonylurea.

Molecular Properties

Compound Name1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclohexylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclopropylpyrazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)sulfonylurea
PubChem CID162007643
Molecular FormulaC99H122N20O15S5
Molecular Weight1992.52 g/mol
Exact Mass1990.80
IUPAC Name1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclohexylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclopropylpyrazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)sulfonylurea
SMILESCC(C)(C)n1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.CC(C)n1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cn1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccn(C2CC2)n1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccn(C2CCCCC2)n1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cnn(C2CC2)c1
InChIInChI=1S/C22H28N4O3S.C20H26N4O3S.2C19H22N4O3S.C19H24N4O3S/c27-22(23-21-18-10-4-6-15(18)14-16-7-5-11-19(16)21)25-30(28,29)20-12-13-26(24-20)17-8-2-1-3-9-17;1-20(2,3)24-11-10-17(22-24)28(26,27)23-19(25)21-18-15-8-4-6-13(15)12-14-7-5-9-16(14)18;24-19(22-27(25,26)15-10-20-23(11-15)14-7-8-14)21-18-16-5-1-3-12(16)9-13-4-2-6-17(13)18;24-19(22-27(25,26)17-9-10-23(21-17)14-7-8-14)20-18-15-5-1-3-12(15)11-13-4-2-6-16(13)18;1-12(2)23-11-15(10-20-23)27(25,26)22-19(24)21-18-16-7-3-5-13(16)9-14-6-4-8-17(14)18/h12-14,17H,1-11H2,(H2,23,25,27);10-12H,4-9H2,1-3H3,(H2,21,23,25);9-11,14H,1-8H2,(H2,21,22,24);9-11,14H,1-8H2,(H2,20,22,24);9-12H,3-8H2,1-2H3,(H2,21,22,24)
InChIKeyYTAXKIIKKPAMFP-UHFFFAOYSA-N
XLogP15.37
TPSA465.45 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds19
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001992.52
LogP ≤ 515.37
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Analyze 1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclohexylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclopropylpyrazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)sulfonylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(3-hydroxycyclobutyl)pyrazol-3-yl]sulfonylurea
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1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[oxan-4-yl-(1-propan-2-ylpyrazol-4-yl)sulfamoyl]urea
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1-[2-(dimethylamino)ethyl-(1-propan-2-ylpyrazol-4-yl)sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
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Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclohexylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclopropylpyrazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)sulfonylurea?
The IUPAC name of 1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclohexylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclopropylpyrazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)sulfonylurea (CID 162007643) is 1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclohexylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclopropylpyrazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)sulfonylurea.
What is the SMILES notation for 1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclohexylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclopropylpyrazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)sulfonylurea?
The canonical SMILES for 1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclohexylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclopropylpyrazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)sulfonylurea is CC(C)(C)n1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.CC(C)n1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cn1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccn(C2CC2)n1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccn(C2CCCCC2)n1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cnn(C2CC2)c1.
What is the InChIKey of 1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclohexylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclopropylpyrazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)sulfonylurea?
The InChIKey is YTAXKIIKKPAMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3S.C20H26N4O3S.2C19H22N4O3S.C19H24N4O3S/c27-22(23-21-18-10-4-6-15(18)14-16-7-5-11-19(16)21)25-30(28,29)20-12-13-26(24-20)17-8-2-1-3-9-17;1-20(2,3)24-11-10-17(22-24)28(26,27)23-19(25)21-18-15-8-4-6-13(15)12-14-7-5-9-16(14)18;24-19(22-27(25,26)15-10-20-23(11-15)14-7-8-14)21-18-16-5-1-3-12(16)9-13-4-2-6-17(13)18;24-19(22-27(25,26)17-9-10-23(21-17)14-7-8-14)20-18-15-5-1-3-12(15)11-13-4-2-6-16(13)18;1-12(2)23-11-15(10-20-23)27(25,26)22-19(24)21-18-16-7-3-5-13(16)9-14-6-4-8-17(14)18/h12-14,17H,1-11H2,(H2,23,25,27);10-12H,4-9H2,1-3H3,(H2,21,23,25);9-11,14H,1-8H2,(H2,21,22,24);9-11,14H,1-8H2,(H2,20,22,24);9-12H,3-8H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclohexylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclopropylpyrazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)sulfonylurea?
1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclohexylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclopropylpyrazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)sulfonylurea has a molecular weight of 1992.52 g/mol, XLogP of 15.37, 19 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclohexylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclopropylpyrazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)sulfonylurea is sourced from PubChem (CID 162007643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).