1-(5-chloro-2-methoxyphenyl)-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea

C18H18ClN5O2 — CID 119105195

IUPAC1-(5-chloro-2-methoxyphenyl)-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)NCc1cncc(-c2ccnn2C)c1
InChIInChI=1S/C18H18ClN5O2/c1-24-16(5-6-22-24)13-7-12(9-20-11-13)10-21-18(25)23-15-8-14(19)3-4-17(15)26-2/h3-9,11H,10H2,1-2H3,(H2,21,23,25)
InChIKeyJUOYWRXNERWNKY-UHFFFAOYSA-N
MW371.83 g/mol
LogP3.47
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea

1-(5-chloro-2-methoxyphenyl)-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea (PubChem CID 119105195) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
PubChem CID119105195
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)NCc1cncc(-c2ccnn2C)c1
InChIInChI=1S/C18H18ClN5O2/c1-24-16(5-6-22-24)13-7-12(9-20-11-13)10-21-18(25)23-15-8-14(19)3-4-17(15)26-2/h3-9,11H,10H2,1-2H3,(H2,21,23,25)
InChIKeyJUOYWRXNERWNKY-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-(5-chloro-2-methoxyphenyl)-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea with MolForge

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea
CID 35276225
1-[(2,4-difluorophenyl)methyl]-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
CID 122274137
1-(5-chloro-2-methoxyphenyl)-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
CID 122275539
3-(3,4-dichlorophenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 122273952
1-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(2-methoxyphenyl)urea
CID 121197252
1-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethyl)urea
CID 122274126
1-(5-chloro-2-methoxyphenyl)-3-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]urea
CID 121049745
1-(5-chloro-2-methoxyphenyl)-3-(cyanomethyl)urea
CID 108864649
1-(5-chloro-2-methoxyphenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea
CID 91967706
3-(2-methylphenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 119105165
1-(5-chloro-2-methoxyphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea
CID 50830288
methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate
CID 108875604

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea (CID 119105195) is 1-(5-chloro-2-methoxyphenyl)-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea is COc1ccc(Cl)cc1NC(=O)NCc1cncc(-c2ccnn2C)c1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea?
The InChIKey is JUOYWRXNERWNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c1-24-16(5-6-22-24)13-7-12(9-20-11-13)10-21-18(25)23-15-8-14(19)3-4-17(15)26-2/h3-9,11H,10H2,1-2H3,(H2,21,23,25).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea?
1-(5-chloro-2-methoxyphenyl)-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]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-(5-chloro-2-methoxyphenyl)-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 119105195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).