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

C18H16Cl2N4O2 — CID 11429246

IUPAC1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(4-chlorophenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1c(Cl)cnn1C
InChIInChI=1S/C18H16Cl2N4O2/c1-24-17(15(20)10-21-24)14-9-13(7-8-16(14)26-2)23-18(25)22-12-5-3-11(19)4-6-12/h3-10H,1-2H3,(H2,22,23,25)
InChIKeyGGJYDEZYCACGIQ-UHFFFAOYSA-N
MW391.26 g/mol
LogP5.05
Rot. Bonds4

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

1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(4-chlorophenyl)urea (PubChem CID 11429246) has the molecular formula C18H16Cl2N4O2 and a molecular weight of 391.26 g/mol. Its IUPAC name is 1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(4-chlorophenyl)urea
PubChem CID11429246
Molecular FormulaC18H16Cl2N4O2
Molecular Weight391.26 g/mol
Exact Mass390.07
IUPAC Name1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(4-chlorophenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1c(Cl)cnn1C
InChIInChI=1S/C18H16Cl2N4O2/c1-24-17(15(20)10-21-24)14-9-13(7-8-16(14)26-2)23-18(25)22-12-5-3-11(19)4-6-12/h3-10H,1-2H3,(H2,22,23,25)
InChIKeyGGJYDEZYCACGIQ-UHFFFAOYSA-N
XLogP5.05
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.26
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Nelotanserin
CID 11683556
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(3,5-difluoro-phenyl)urea
CID 11154832
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-ethoxy-phenyl]-3-(4-Chloro-phenyl)-urea
CID 11166827
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(4-Chloro-phenyl)-urea
CID 11247569
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(3-cyano-phenyl)-urea
CID 11258838
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(4-chloro-2-trifluoromethyl-phenyl)-urea
CID 11283484
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(4-bromo-phenyl)-urea
CID 11294575
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-isopropoxy-phenyl]-3-(4-Chloro-phenyl)-urea
CID 11328744
1-(3,5-Bis-trifluoromethyl-phenyl)-3-[3-(4-chloro-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-urea
CID 11363880
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(4-trifluoromethyl-phenyl)urea
CID 11374796
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(2,4-dichloro-phenyl)-urea
CID 11431347
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(3-Chloro-phenyl)-urea
CID 11453346

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(4-chlorophenyl)urea (CID 11429246) is 1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(4-chlorophenyl)urea is COc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1c(Cl)cnn1C.
What is the InChIKey of 1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(4-chlorophenyl)urea?
The InChIKey is GGJYDEZYCACGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O2/c1-24-17(15(20)10-21-24)14-9-13(7-8-16(14)26-2)23-18(25)22-12-5-3-11(19)4-6-12/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-(4-chlorophenyl)urea?
1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(4-chlorophenyl)urea has a molecular weight of 391.26 g/mol, XLogP of 5.05, 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-(4-chlorophenyl)urea is sourced from PubChem (CID 11429246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).