1,3-bis(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea

C15H20N6O — CID 155950298

IUPAC1,3-bis(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
SMILESO=C(NC1CCCc2cn[nH]c21)NC1CCCc2cn[nH]c21
InChIInChI=1S/C15H20N6O/c22-15(18-11-5-1-3-9-7-16-20-13(9)11)19-12-6-2-4-10-8-17-21-14(10)12/h7-8,11-12H,1-6H2,(H,16,20)(H,17,21)(H2,18,19,22)
InChIKeyYWMXYMFDDRNCEH-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.89
Rot. Bonds2

About 1,3-bis(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea

1,3-bis(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea (PubChem CID 155950298) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 1,3-bis(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea.

Molecular Properties

Compound Name1,3-bis(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
PubChem CID155950298
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name1,3-bis(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
SMILESO=C(NC1CCCc2cn[nH]c21)NC1CCCc2cn[nH]c21
InChIInChI=1S/C15H20N6O/c22-15(18-11-5-1-3-9-7-16-20-13(9)11)19-12-6-2-4-10-8-17-21-14(10)12/h7-8,11-12H,1-6H2,(H,16,20)(H,17,21)(H2,18,19,22)
InChIKeyYWMXYMFDDRNCEH-UHFFFAOYSA-N
XLogP1.89
TPSA98.49 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-3-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea
CID 97228997
1-spiro[2.5]octan-2-yl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 127727149
1-[4-(methoxymethyl)cyclohexyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 128727902
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 167916039
N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-3-carboxamide
CID 119787830
2-(cyclopropylmethylamino)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide
CID 119787806
2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)oxane-3-carboxamide
CID 138043861
1-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea
CID 124888376
1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 154837315
2-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide
CID 118740682
2-(3-ethylphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide
CID 154738802
3-amino-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)cyclohexane-1-carboxamide
CID 119787796

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea?
The IUPAC name of 1,3-bis(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea (CID 155950298) is 1,3-bis(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea.
What is the SMILES notation for 1,3-bis(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea?
The canonical SMILES for 1,3-bis(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea is O=C(NC1CCCc2cn[nH]c21)NC1CCCc2cn[nH]c21.
What is the InChIKey of 1,3-bis(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea?
The InChIKey is YWMXYMFDDRNCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c22-15(18-11-5-1-3-9-7-16-20-13(9)11)19-12-6-2-4-10-8-17-21-14(10)12/h7-8,11-12H,1-6H2,(H,16,20)(H,17,21)(H2,18,19,22).
What are the key properties of 1,3-bis(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea?
1,3-bis(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea has a molecular weight of 300.37 g/mol, XLogP of 1.89, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea is sourced from PubChem (CID 155950298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).