1-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-phenylurea

C20H18F2N4O — CID 72856967

IUPAC1-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)NC1CCCc2c1cnn2-c1cc(F)cc(F)c1
InChIInChI=1S/C20H18F2N4O/c21-13-9-14(22)11-16(10-13)26-19-8-4-7-18(17(19)12-23-26)25-20(27)24-15-5-2-1-3-6-15/h1-3,5-6,9-12,18H,4,7-8H2,(H2,24,25,27)
InChIKeyXUFKNYBIRITVIY-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.35
Rot. Bonds3

About 1-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-phenylurea

1-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-phenylurea (PubChem CID 72856967) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is 1-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-phenylurea
PubChem CID72856967
Molecular FormulaC20H18F2N4O
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name1-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)NC1CCCc2c1cnn2-c1cc(F)cc(F)c1
InChIInChI=1S/C20H18F2N4O/c21-13-9-14(22)11-16(10-13)26-19-8-4-7-18(17(19)12-23-26)25-20(27)24-15-5-2-1-3-6-15/h1-3,5-6,9-12,18H,4,7-8H2,(H2,24,25,27)
InChIKeyXUFKNYBIRITVIY-UHFFFAOYSA-N
XLogP4.35
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxybenzamide
CID 97140880
N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxyacetamide
CID 97125555
N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,2-dimethylpropanamide
CID 72864626
1-acetyl-N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]piperidine-4-carboxamide
CID 24794165
N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-quinazolin-4-yloxyacetamide
CID 42567120
N-[(4R)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-quinazolin-4-yloxyacetamide
CID 42567121
N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 166631798
N-[(4R)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide
CID 42245579
N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methoxyhexanamide
CID 97132643
1-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methylphenyl)urea
CID 51939747
N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 24791231
3-acetamido-N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide
CID 24790662

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-phenylurea?
The IUPAC name of 1-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-phenylurea (CID 72856967) is 1-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-phenylurea.
What is the SMILES notation for 1-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-phenylurea?
The canonical SMILES for 1-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-phenylurea is O=C(Nc1ccccc1)NC1CCCc2c1cnn2-c1cc(F)cc(F)c1.
What is the InChIKey of 1-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-phenylurea?
The InChIKey is XUFKNYBIRITVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O/c21-13-9-14(22)11-16(10-13)26-19-8-4-7-18(17(19)12-23-26)25-20(27)24-15-5-2-1-3-6-15/h1-3,5-6,9-12,18H,4,7-8H2,(H2,24,25,27).
What are the key properties of 1-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-phenylurea?
1-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-phenylurea has a molecular weight of 368.39 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-phenylurea is sourced from PubChem (CID 72856967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).