sodium;[1,3-dimethoxypropan-2-yl-(1-methylpyrazol-4-yl)sulfamoyl]-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide;4-[3-methoxy-2-(methoxymethyl)propyl]-1-methylpyrazole;1-methylpyrazol-4-amine

C36H55N10NaO7S — CID 164999280

IUPACsodium;[1,3-dimethoxypropan-2-yl-(1-methylpyrazol-4-yl)sulfamoyl]-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide;4-[3-methoxy-2-(methoxymethyl)propyl]-1-methylpyrazole;1-methylpyrazol-4-amine
SMILESCOCC(COC)Cc1cnn(C)c1.COCC(COC)N(c1cnn(C)c1)S(=O)(=O)[N-]C(=O)Nc1c2c(cc3c1CCC3)CCC2.Cn1cc(N)cn1.[Na+]
InChIInChI=1S/C22H31N5O5S.C10H18N2O2.C4H7N3.Na/c1-26-12-17(11-23-26)27(18(13-31-2)14-32-3)33(29,30)25-22(28)24-21-19-8-4-6-15(19)10-16-7-5-9-20(16)21;1-12-6-9(5-11-12)4-10(7-13-2)8-14-3;1-7-3-4(5)2-6-7;/h10-12,18H,4-9,13-14H2,1-3H3,(H2,24,25,28);5-6,10H,4,7-8H2,1-3H3;2-3H,5H2,1H3;/q;;;+1/p-1
InChIKeyGUXFUVFLCYULGV-UHFFFAOYSA-M
MW794.96 g/mol
LogP0.59
Rot. Bonds15

About sodium;[1,3-dimethoxypropan-2-yl-(1-methylpyrazol-4-yl)sulfamoyl]-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide;4-[3-methoxy-2-(methoxymethyl)propyl]-1-methylpyrazole;1-methylpyrazol-4-amine

sodium;[1,3-dimethoxypropan-2-yl-(1-methylpyrazol-4-yl)sulfamoyl]-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide;4-[3-methoxy-2-(methoxymethyl)propyl]-1-methylpyrazole;1-methylpyrazol-4-amine (PubChem CID 164999280) has the molecular formula C36H55N10NaO7S and a molecular weight of 794.96 g/mol. Its IUPAC name is sodium;[1,3-dimethoxypropan-2-yl-(1-methylpyrazol-4-yl)sulfamoyl]-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide;4-[3-methoxy-2-(methoxymethyl)propyl]-1-methylpyrazole;1-methylpyrazol-4-amine.

Molecular Properties

Compound Namesodium;[1,3-dimethoxypropan-2-yl-(1-methylpyrazol-4-yl)sulfamoyl]-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide;4-[3-methoxy-2-(methoxymethyl)propyl]-1-methylpyrazole;1-methylpyrazol-4-amine
PubChem CID164999280
Molecular FormulaC36H55N10NaO7S
Molecular Weight794.96 g/mol
Exact Mass794.39
IUPAC Namesodium;[1,3-dimethoxypropan-2-yl-(1-methylpyrazol-4-yl)sulfamoyl]-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide;4-[3-methoxy-2-(methoxymethyl)propyl]-1-methylpyrazole;1-methylpyrazol-4-amine
SMILESCOCC(COC)Cc1cnn(C)c1.COCC(COC)N(c1cnn(C)c1)S(=O)(=O)[N-]C(=O)Nc1c2c(cc3c1CCC3)CCC2.Cn1cc(N)cn1.[Na+]
InChIInChI=1S/C22H31N5O5S.C10H18N2O2.C4H7N3.Na/c1-26-12-17(11-23-26)27(18(13-31-2)14-32-3)33(29,30)25-22(28)24-21-19-8-4-6-15(19)10-16-7-5-9-20(16)21;1-12-6-9(5-11-12)4-10(7-13-2)8-14-3;1-7-3-4(5)2-6-7;/h10-12,18H,4-9,13-14H2,1-3H3,(H2,24,25,28);5-6,10H,4,7-8H2,1-3H3;2-3H,5H2,1H3;/q;;;+1/p-1
InChIKeyGUXFUVFLCYULGV-UHFFFAOYSA-M
XLogP0.59
TPSA196.98 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.96
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze sodium;[1,3-dimethoxypropan-2-yl-(1-methylpyrazol-4-yl)sulfamoyl]-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide;4-[3-methoxy-2-(methoxymethyl)propyl]-1-methylpyrazole;1-methylpyrazol-4-amine with MolForge

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Related Compounds

methane;methyl 2-amino-3-(1-methylpyrazol-4-yl)propanoate;methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-3-(1-methylpyrazol-4-yl)propanoate
CID 157456061
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-methoxyethylsulfonyl)urea
CID 166047737
sodium;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylazepin-4-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea;hydride
CID 175103210
sodium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[(3-methoxyphenyl)methylsulfonyl]azanide
CID 155660731
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-4-yl)-[[(2R)-oxan-2-yl]methyl]sulfamoyl]urea
CID 170689309
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylazetidin-2-yl)methyl-(1-methylpyrazol-4-yl)sulfamoyl]urea
CID 155225377
sodium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[oxan-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfamoyl]azanide
CID 157282443
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-4-yl)-(oxolan-3-ylmethyl)sulfamoyl]urea
CID 170689278
CID 155390020
CID 155390020
2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-[2-(methylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]acetamide
CID 155389576
1-methoxy-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 62127498
1-[(3,3-dimethyloxan-4-yl)-(1-methylpyrazol-4-yl)sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 155225206

Frequently Asked Questions

What is the IUPAC name of sodium;[1,3-dimethoxypropan-2-yl-(1-methylpyrazol-4-yl)sulfamoyl]-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide;4-[3-methoxy-2-(methoxymethyl)propyl]-1-methylpyrazole;1-methylpyrazol-4-amine?
The IUPAC name of sodium;[1,3-dimethoxypropan-2-yl-(1-methylpyrazol-4-yl)sulfamoyl]-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide;4-[3-methoxy-2-(methoxymethyl)propyl]-1-methylpyrazole;1-methylpyrazol-4-amine (CID 164999280) is sodium;[1,3-dimethoxypropan-2-yl-(1-methylpyrazol-4-yl)sulfamoyl]-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide;4-[3-methoxy-2-(methoxymethyl)propyl]-1-methylpyrazole;1-methylpyrazol-4-amine.
What is the SMILES notation for sodium;[1,3-dimethoxypropan-2-yl-(1-methylpyrazol-4-yl)sulfamoyl]-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide;4-[3-methoxy-2-(methoxymethyl)propyl]-1-methylpyrazole;1-methylpyrazol-4-amine?
The canonical SMILES for sodium;[1,3-dimethoxypropan-2-yl-(1-methylpyrazol-4-yl)sulfamoyl]-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide;4-[3-methoxy-2-(methoxymethyl)propyl]-1-methylpyrazole;1-methylpyrazol-4-amine is COCC(COC)Cc1cnn(C)c1.COCC(COC)N(c1cnn(C)c1)S(=O)(=O)[N-]C(=O)Nc1c2c(cc3c1CCC3)CCC2.Cn1cc(N)cn1.[Na+].
What is the InChIKey of sodium;[1,3-dimethoxypropan-2-yl-(1-methylpyrazol-4-yl)sulfamoyl]-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide;4-[3-methoxy-2-(methoxymethyl)propyl]-1-methylpyrazole;1-methylpyrazol-4-amine?
The InChIKey is GUXFUVFLCYULGV-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H31N5O5S.C10H18N2O2.C4H7N3.Na/c1-26-12-17(11-23-26)27(18(13-31-2)14-32-3)33(29,30)25-22(28)24-21-19-8-4-6-15(19)10-16-7-5-9-20(16)21;1-12-6-9(5-11-12)4-10(7-13-2)8-14-3;1-7-3-4(5)2-6-7;/h10-12,18H,4-9,13-14H2,1-3H3,(H2,24,25,28);5-6,10H,4,7-8H2,1-3H3;2-3H,5H2,1H3;/q;;;+1/p-1.
What are the key properties of sodium;[1,3-dimethoxypropan-2-yl-(1-methylpyrazol-4-yl)sulfamoyl]-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide;4-[3-methoxy-2-(methoxymethyl)propyl]-1-methylpyrazole;1-methylpyrazol-4-amine?
sodium;[1,3-dimethoxypropan-2-yl-(1-methylpyrazol-4-yl)sulfamoyl]-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide;4-[3-methoxy-2-(methoxymethyl)propyl]-1-methylpyrazole;1-methylpyrazol-4-amine has a molecular weight of 794.96 g/mol, XLogP of 0.59, 15 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;[1,3-dimethoxypropan-2-yl-(1-methylpyrazol-4-yl)sulfamoyl]-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide;4-[3-methoxy-2-(methoxymethyl)propyl]-1-methylpyrazole;1-methylpyrazol-4-amine is sourced from PubChem (CID 164999280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).