1-(3-hydroxypropyl)-3-[6-(4-methylphenyl)-1H-indazol-3-yl]urea

C18H20N4O2 — CID 69064539

IUPAC1-(3-hydroxypropyl)-3-[6-(4-methylphenyl)-1H-indazol-3-yl]urea
SMILESCc1ccc(-c2ccc3c(NC(=O)NCCCO)n[nH]c3c2)cc1
InChIInChI=1S/C18H20N4O2/c1-12-3-5-13(6-4-12)14-7-8-15-16(11-14)21-22-17(15)20-18(24)19-9-2-10-23/h3-8,11,23H,2,9-10H2,1H3,(H3,19,20,21,22,24)
InChIKeyLUUSFRZUNSXVAC-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.04
Rot. Bonds5

About 1-(3-hydroxypropyl)-3-[6-(4-methylphenyl)-1H-indazol-3-yl]urea

1-(3-hydroxypropyl)-3-[6-(4-methylphenyl)-1H-indazol-3-yl]urea (PubChem CID 69064539) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-[6-(4-methylphenyl)-1H-indazol-3-yl]urea.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-[6-(4-methylphenyl)-1H-indazol-3-yl]urea
PubChem CID69064539
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-(3-hydroxypropyl)-3-[6-(4-methylphenyl)-1H-indazol-3-yl]urea
SMILESCc1ccc(-c2ccc3c(NC(=O)NCCCO)n[nH]c3c2)cc1
InChIInChI=1S/C18H20N4O2/c1-12-3-5-13(6-4-12)14-7-8-15-16(11-14)21-22-17(15)20-18(24)19-9-2-10-23/h3-8,11,23H,2,9-10H2,1H3,(H3,19,20,21,22,24)
InChIKeyLUUSFRZUNSXVAC-UHFFFAOYSA-N
XLogP3.04
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[6-(4-methylphenyl)-1H-indazol-3-yl]carbamoylamino]ethyl]acetamide
CID 69091931
1-(3-hydroxypropyl)-3-(6-thiophen-3-yl-1H-indazol-3-yl)urea
CID 69069820
1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea
CID 69067411
N-[3-[3-(2-aminoethylcarbamoylamino)-1H-indazol-6-yl]phenyl]acetamide
CID 69064173
2-cyclopentyl-N-[6-(4-methylphenyl)-1H-indazol-3-yl]acetamide
CID 69061785
1-(cyclopropylmethyl)-3-[6-(4-methoxyphenyl)-1H-indazol-3-yl]urea
CID 69061513
N-[6-(4-methylphenyl)-1H-indazol-3-yl]piperidine-1-carboxamide
CID 69064183
1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea
CID 69061205
N-[6-(4-methylphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide
CID 69063807
2,3,4,5-tetrafluoro-N-[6-(4-methylphenyl)-1H-indazol-3-yl]benzamide
CID 87678347
1-(3-imidazol-1-ylpropyl)-3-[6-(3-methoxyphenyl)-1H-indazol-3-yl]urea
CID 69062294
N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]acetamide
CID 69065402

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-[6-(4-methylphenyl)-1H-indazol-3-yl]urea?
The IUPAC name of 1-(3-hydroxypropyl)-3-[6-(4-methylphenyl)-1H-indazol-3-yl]urea (CID 69064539) is 1-(3-hydroxypropyl)-3-[6-(4-methylphenyl)-1H-indazol-3-yl]urea.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-[6-(4-methylphenyl)-1H-indazol-3-yl]urea?
The canonical SMILES for 1-(3-hydroxypropyl)-3-[6-(4-methylphenyl)-1H-indazol-3-yl]urea is Cc1ccc(-c2ccc3c(NC(=O)NCCCO)n[nH]c3c2)cc1.
What is the InChIKey of 1-(3-hydroxypropyl)-3-[6-(4-methylphenyl)-1H-indazol-3-yl]urea?
The InChIKey is LUUSFRZUNSXVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12-3-5-13(6-4-12)14-7-8-15-16(11-14)21-22-17(15)20-18(24)19-9-2-10-23/h3-8,11,23H,2,9-10H2,1H3,(H3,19,20,21,22,24).
What are the key properties of 1-(3-hydroxypropyl)-3-[6-(4-methylphenyl)-1H-indazol-3-yl]urea?
1-(3-hydroxypropyl)-3-[6-(4-methylphenyl)-1H-indazol-3-yl]urea has a molecular weight of 324.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3-[6-(4-methylphenyl)-1H-indazol-3-yl]urea is sourced from PubChem (CID 69064539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).