1-(3,5-dichlorophenyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea

C19H19Cl2N5O — CID 164623189

IUPAC1-(3,5-dichlorophenyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea
SMILESCc1cc(CNC(=O)Nc2cc(Cl)cc(Cl)c2)ncc1-c1cn(C)nc1C
InChIInChI=1S/C19H19Cl2N5O/c1-11-4-16(22-9-17(11)18-10-26(3)25-12(18)2)8-23-19(27)24-15-6-13(20)5-14(21)7-15/h4-7,9-10H,8H2,1-3H3,(H2,23,24,27)
InChIKeyCZIBKUPNJABACD-UHFFFAOYSA-N
MW404.30 g/mol
LogP4.73
Rot. Bonds4

About 1-(3,5-dichlorophenyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea

1-(3,5-dichlorophenyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea (PubChem CID 164623189) has the molecular formula C19H19Cl2N5O and a molecular weight of 404.30 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea
PubChem CID164623189
Molecular FormulaC19H19Cl2N5O
Molecular Weight404.30 g/mol
Exact Mass403.10
IUPAC Name1-(3,5-dichlorophenyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea
SMILESCc1cc(CNC(=O)Nc2cc(Cl)cc(Cl)c2)ncc1-c1cn(C)nc1C
InChIInChI=1S/C19H19Cl2N5O/c1-11-4-16(22-9-17(11)18-10-26(3)25-12(18)2)8-23-19(27)24-15-6-13(20)5-14(21)7-15/h4-7,9-10H,8H2,1-3H3,(H2,23,24,27)
InChIKeyCZIBKUPNJABACD-UHFFFAOYSA-N
XLogP4.73
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3,5-dichlorophenyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea with MolForge

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Related Compounds

Arylpyrazole, 14
CID 44143414
Arylpyrazole, 15
CID 44143415
1-(2,6-Dichloro-4-pyridinyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea
CID 164608769
N-(3-chlorophenyl)-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 831809
N-[4-(3-amino-1-methyl-1H-pyrazolo[3,4-c]pyridin-4-yl)phenyl]-N'-(3-chlorophenyl)urea
CID 11710909
7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide
CID 54670226
Arylpyrazole, 16
CID 44143416
1H-Pyrazole-1-carboxamide, N-(3,5-dichlorophenyl)-5-(3-methyl-2-pyrazinyl)-
CID 2741309
N-[2-[3-(3-chlorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155518263
N-[2-[3-(2-chlorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155529309
N-[2-[3-(4-chlorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155555275
N-(2-chloro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 162672573

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea (CID 164623189) is 1-(3,5-dichlorophenyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea is Cc1cc(CNC(=O)Nc2cc(Cl)cc(Cl)c2)ncc1-c1cn(C)nc1C.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea?
The InChIKey is CZIBKUPNJABACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5O/c1-11-4-16(22-9-17(11)18-10-26(3)25-12(18)2)8-23-19(27)24-15-6-13(20)5-14(21)7-15/h4-7,9-10H,8H2,1-3H3,(H2,23,24,27).
What are the key properties of 1-(3,5-dichlorophenyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea?
1-(3,5-dichlorophenyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea has a molecular weight of 404.30 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea is sourced from PubChem (CID 164623189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).