1-benzyl-3-[5-(4-chloro-1-methylpyrazol-5-yl)-6-methoxy-3-pyridinyl]urea

C18H18ClN5O2 — CID 24889373

IUPAC1-benzyl-3-[5-(4-chloro-1-methylpyrazol-5-yl)-6-methoxy-3-pyridinyl]urea
SMILESCOc1ncc(NC(=O)NCc2ccccc2)cc1-c1c(Cl)cnn1C
InChIInChI=1S/C18H18ClN5O2/c1-24-16(15(19)11-22-24)14-8-13(10-20-17(14)26-2)23-18(25)21-9-12-6-4-3-5-7-12/h3-8,10-11H,9H2,1-2H3,(H2,21,23,25)
InChIKeyVIWWSRYIFUIVKR-UHFFFAOYSA-N
MW371.83 g/mol
LogP3.47
Rot. Bonds5

About 1-benzyl-3-[5-(4-chloro-1-methylpyrazol-5-yl)-6-methoxy-3-pyridinyl]urea

1-benzyl-3-[5-(4-chloro-1-methylpyrazol-5-yl)-6-methoxy-3-pyridinyl]urea (PubChem CID 24889373) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is 1-benzyl-3-[5-(4-chloro-1-methylpyrazol-5-yl)-6-methoxy-3-pyridinyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[5-(4-chloro-1-methylpyrazol-5-yl)-6-methoxy-3-pyridinyl]urea
PubChem CID24889373
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC Name1-benzyl-3-[5-(4-chloro-1-methylpyrazol-5-yl)-6-methoxy-3-pyridinyl]urea
SMILESCOc1ncc(NC(=O)NCc2ccccc2)cc1-c1c(Cl)cnn1C
InChIInChI=1S/C18H18ClN5O2/c1-24-16(15(19)11-22-24)14-8-13(10-20-17(14)26-2)23-18(25)21-9-12-6-4-3-5-7-12/h3-8,10-11H,9H2,1-2H3,(H2,21,23,25)
InChIKeyVIWWSRYIFUIVKR-UHFFFAOYSA-N
XLogP3.47
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-3-[5-(4-chloro-1-methylpyrazol-5-yl)-6-methoxy-3-pyridinyl]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-[4-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]-3-benzylurea
CID 66928271
1-[4-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]-3-[(4-fluorophenyl)methyl]urea
CID 66928842
2-[benzyl(methyl)amino]-N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide
CID 24815737
5-(4-chloro-1-methylpyrazol-5-yl)-6-methoxypyridin-3-amine
CID 69133234
1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(2-fluorophenyl)urea
CID 11545269
1-[5-(4-bromo-1-methylpyrazol-5-yl)-6-methoxy-3-pyridinyl]-3-(2,4-difluorophenyl)urea
CID 24889375
1-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 142269407
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[4-(2-methoxy-3-pyridinyl)phenyl]methyl]urea
CID 59708626
1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea
CID 11675550
5-(benzylcarbamoylamino)pyridine-3-carboxylic acid
CID 63158025
1-benzyl-3-(2-chloro-4-methoxyphenyl)urea
CID 110774601
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 24816181

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[5-(4-chloro-1-methylpyrazol-5-yl)-6-methoxy-3-pyridinyl]urea?
The IUPAC name of 1-benzyl-3-[5-(4-chloro-1-methylpyrazol-5-yl)-6-methoxy-3-pyridinyl]urea (CID 24889373) is 1-benzyl-3-[5-(4-chloro-1-methylpyrazol-5-yl)-6-methoxy-3-pyridinyl]urea.
What is the SMILES notation for 1-benzyl-3-[5-(4-chloro-1-methylpyrazol-5-yl)-6-methoxy-3-pyridinyl]urea?
The canonical SMILES for 1-benzyl-3-[5-(4-chloro-1-methylpyrazol-5-yl)-6-methoxy-3-pyridinyl]urea is COc1ncc(NC(=O)NCc2ccccc2)cc1-c1c(Cl)cnn1C.
What is the InChIKey of 1-benzyl-3-[5-(4-chloro-1-methylpyrazol-5-yl)-6-methoxy-3-pyridinyl]urea?
The InChIKey is VIWWSRYIFUIVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c1-24-16(15(19)11-22-24)14-8-13(10-20-17(14)26-2)23-18(25)21-9-12-6-4-3-5-7-12/h3-8,10-11H,9H2,1-2H3,(H2,21,23,25).
What are the key properties of 1-benzyl-3-[5-(4-chloro-1-methylpyrazol-5-yl)-6-methoxy-3-pyridinyl]urea?
1-benzyl-3-[5-(4-chloro-1-methylpyrazol-5-yl)-6-methoxy-3-pyridinyl]urea has a molecular weight of 371.83 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[5-(4-chloro-1-methylpyrazol-5-yl)-6-methoxy-3-pyridinyl]urea is sourced from PubChem (CID 24889373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).