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

C16H19ClN4O — CID 2800079

IUPAC3-(4-chlorophenyl)-1-methyl-1-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)urea
SMILESCN(C(=O)Nc1ccc(Cl)cc1)c1c2c(nn1C)CCCC2
InChIInChI=1S/C16H19ClN4O/c1-20(16(22)18-12-9-7-11(17)8-10-12)15-13-5-3-4-6-14(13)19-21(15)2/h7-10H,3-6H2,1-2H3,(H,18,22)
InChIKeyCEINPMNJKVLMON-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.62
Rot. Bonds2

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

3-(4-chlorophenyl)-1-methyl-1-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)urea (PubChem CID 2800079) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-methyl-1-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)urea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-methyl-1-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)urea
PubChem CID2800079
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name3-(4-chlorophenyl)-1-methyl-1-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)urea
SMILESCN(C(=O)Nc1ccc(Cl)cc1)c1c2c(nn1C)CCCC2
InChIInChI=1S/C16H19ClN4O/c1-20(16(22)18-12-9-7-11(17)8-10-12)15-13-5-3-4-6-14(13)19-21(15)2/h7-10H,3-6H2,1-2H3,(H,18,22)
InChIKeyCEINPMNJKVLMON-UHFFFAOYSA-N
XLogP3.62
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)-1-methyl-1-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-Tert-Butyl-2-Methyl-2h-Pyrazol-3-Yl)-3-(4-Chloro-Phenyl)-Urea
CID 446816
N-((3Z)-5-Tert-butyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene)-N'-(4-chlorophenyl)urea
CID 656949
Pyrazolourea, 1a
CID 25210518
N-[3-(tert-butyl)-1-methyl-1H-pyrazol-5-yl]-N'-(3-chloro-2-methylphenyl)urea
CID 2811755
1-(5-Tert-butyl-2-methyl-3-pyrazolyl)-3-(3,5-dichlorophenyl)urea
CID 2822406
N-[4-(dimethylamino)-1-methyl-1H-indazol-3-yl]-N'-phenylurea
CID 2812681
N-(4-chlorophenyl)-N'-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]urea
CID 16193476
N-(1-tert-butyl-3-cyclopropyl-1H-pyrazol-5-yl)-N'-(4-chlorophenyl)urea
CID 339572
1-(1-(3-(2-aminoethyl)phenyl)-3-tert-butyl-1H-pyrazol-5-yl)-3-(4-chlorophenyl)urea
CID 21867288
1-(3-tert-butyl-1-m-tolyl-1H-pyrazol-5-yl)-3-(4-chlorophenyl)urea
CID 44473625
1-(4-Chlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
CID 2813772
4-(4-Chlorophenyl)-3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one
CID 3956519

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-methyl-1-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)urea?
The IUPAC name of 3-(4-chlorophenyl)-1-methyl-1-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)urea (CID 2800079) is 3-(4-chlorophenyl)-1-methyl-1-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)urea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-methyl-1-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)urea?
The canonical SMILES for 3-(4-chlorophenyl)-1-methyl-1-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)urea is CN(C(=O)Nc1ccc(Cl)cc1)c1c2c(nn1C)CCCC2.
What is the InChIKey of 3-(4-chlorophenyl)-1-methyl-1-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)urea?
The InChIKey is CEINPMNJKVLMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-20(16(22)18-12-9-7-11(17)8-10-12)15-13-5-3-4-6-14(13)19-21(15)2/h7-10H,3-6H2,1-2H3,(H,18,22).
What are the key properties of 3-(4-chlorophenyl)-1-methyl-1-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)urea?
3-(4-chlorophenyl)-1-methyl-1-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)urea has a molecular weight of 318.81 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-methyl-1-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)urea is sourced from PubChem (CID 2800079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).