1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(2-fluorophenyl)urea

C18H16ClFN4O2 — CID 11545269

IUPAC1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(2-fluorophenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccccc2F)cc1-c1c(Cl)cnn1C
InChIInChI=1S/C18H16ClFN4O2/c1-24-17(13(19)10-21-24)12-9-11(7-8-16(12)26-2)22-18(25)23-15-6-4-3-5-14(15)20/h3-10H,1-2H3,(H2,22,23,25)
InChIKeyLOFJTRNMHRVUQZ-UHFFFAOYSA-N
MW374.80 g/mol
LogP4.53
Rot. Bonds4

About 1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(2-fluorophenyl)urea

1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(2-fluorophenyl)urea (PubChem CID 11545269) has the molecular formula C18H16ClFN4O2 and a molecular weight of 374.80 g/mol. Its IUPAC name is 1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(2-fluorophenyl)urea
PubChem CID11545269
Molecular FormulaC18H16ClFN4O2
Molecular Weight374.80 g/mol
Exact Mass374.09
IUPAC Name1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(2-fluorophenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccccc2F)cc1-c1c(Cl)cnn1C
InChIInChI=1S/C18H16ClFN4O2/c1-24-17(13(19)10-21-24)12-9-11(7-8-16(12)26-2)22-18(25)23-15-6-4-3-5-14(15)20/h3-10H,1-2H3,(H2,22,23,25)
InChIKeyLOFJTRNMHRVUQZ-UHFFFAOYSA-N
XLogP4.53
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea
CID 11675550
1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 11648252
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(4-chloro-2-hydroxyphenyl)urea
CID 23139514
1-[3-(4-fluoro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 11654406
2-[benzyl(methyl)amino]-N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide
CID 24815737
1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-[2-(3-hydroxyazetidin-1-yl)ethoxy]phenyl]-3-(2,4-difluorophenyl)urea
CID 66928344
1-[4-(1-amino-2-methylpropan-2-yl)oxy-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]-3-(4-fluoro-2-hydroxyphenyl)urea
CID 155411080
1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(2,6-difluorophenyl)urea
CID 66928601
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-naphthalen-2-ylurea
CID 11775306
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 24816181
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(3-methylphenyl)urea
CID 137492363
1-[3-[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-methoxyphenyl]-3-(4-chlorophenyl)urea
CID 11583429

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(2-fluorophenyl)urea (CID 11545269) is 1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(2-fluorophenyl)urea is COc1ccc(NC(=O)Nc2ccccc2F)cc1-c1c(Cl)cnn1C.
What is the InChIKey of 1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(2-fluorophenyl)urea?
The InChIKey is LOFJTRNMHRVUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4O2/c1-24-17(13(19)10-21-24)12-9-11(7-8-16(12)26-2)22-18(25)23-15-6-4-3-5-14(15)20/h3-10H,1-2H3,(H2,22,23,25).
What are the key properties of 1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(2-fluorophenyl)urea?
1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(2-fluorophenyl)urea has a molecular weight of 374.80 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 11545269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).