1-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(4-sulfamoylphenyl)urea

C15H19N5O3S — CID 136540795

IUPAC1-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(4-sulfamoylphenyl)urea
SMILESCn1cc2c(n1)CCCC2NC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H19N5O3S/c1-20-9-12-13(3-2-4-14(12)19-20)18-15(21)17-10-5-7-11(8-6-10)24(16,22)23/h5-9,13H,2-4H2,1H3,(H2,16,22,23)(H2,17,18,21)
InChIKeyLNBACTJNKZLUCE-UHFFFAOYSA-N
MW349.42 g/mol
LogP1.27
Rot. Bonds3

About 1-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(4-sulfamoylphenyl)urea

1-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(4-sulfamoylphenyl)urea (PubChem CID 136540795) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is 1-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(4-sulfamoylphenyl)urea
PubChem CID136540795
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC Name1-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(4-sulfamoylphenyl)urea
SMILESCn1cc2c(n1)CCCC2NC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H19N5O3S/c1-20-9-12-13(3-2-4-14(12)19-20)18-15(21)17-10-5-7-11(8-6-10)24(16,22)23/h5-9,13H,2-4H2,1H3,(H2,16,22,23)(H2,17,18,21)
InChIKeyLNBACTJNKZLUCE-UHFFFAOYSA-N
XLogP1.27
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dimethylamino)-N-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
CID 119038060
4-amino-3,5-dichloro-N-[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzamide
CID 124874994
N-[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3,5-bis(trifluoromethyl)benzamide
CID 100746456
2,5-dimethyl-N-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)morpholine-4-carboxamide
CID 136541064
(5R)-5-methyl-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 124730260
1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 124855059
1-[(2R)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-3-[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 124849739
1-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-(4-sulfamoylphenyl)urea
CID 27870361
(2R)-2-(3,4-difluorophenoxy)-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]propanamide
CID 100746402
1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-3-(4-sulfamoylphenyl)urea
CID 95141083
1-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-3-(4-sulfamoylphenyl)urea
CID 30875317
(2S)-1-[[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propan-2-ol
CID 100638267

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(4-sulfamoylphenyl)urea (CID 136540795) is 1-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(4-sulfamoylphenyl)urea is Cn1cc2c(n1)CCCC2NC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(4-sulfamoylphenyl)urea?
The InChIKey is LNBACTJNKZLUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-20-9-12-13(3-2-4-14(12)19-20)18-15(21)17-10-5-7-11(8-6-10)24(16,22)23/h5-9,13H,2-4H2,1H3,(H2,16,22,23)(H2,17,18,21).
What are the key properties of 1-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(4-sulfamoylphenyl)urea?
1-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(4-sulfamoylphenyl)urea has a molecular weight of 349.42 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 136540795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).