1-(4-chlorophenyl)-3-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]urea

C18H17ClN4O2 — CID 11710154

IUPAC1-(4-chlorophenyl)-3-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]urea
SMILESCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1ccnn1C
InChIInChI=1S/C18H17ClN4O2/c1-23-16(9-10-20-23)15-11-14(7-8-17(15)25-2)22-18(24)21-13-5-3-12(19)4-6-13/h3-11H,1-2H3,(H2,21,22,24)
InChIKeyVCHNOCSZCQRIQZ-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.39
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]urea

1-(4-chlorophenyl)-3-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]urea (PubChem CID 11710154) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]urea
PubChem CID11710154
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name1-(4-chlorophenyl)-3-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]urea
SMILESCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1ccnn1C
InChIInChI=1S/C18H17ClN4O2/c1-23-16(9-10-20-23)15-11-14(7-8-17(15)25-2)22-18(24)21-13-5-3-12(19)4-6-13/h3-11H,1-2H3,(H2,21,22,24)
InChIKeyVCHNOCSZCQRIQZ-UHFFFAOYSA-N
XLogP4.39
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]urea (CID 11710154) is 1-(4-chlorophenyl)-3-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]urea is COc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1ccnn1C.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]urea?
The InChIKey is VCHNOCSZCQRIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-23-16(9-10-20-23)15-11-14(7-8-17(15)25-2)22-18(24)21-13-5-3-12(19)4-6-13/h3-11H,1-2H3,(H2,21,22,24).
What are the key properties of 1-(4-chlorophenyl)-3-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]urea?
1-(4-chlorophenyl)-3-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]urea has a molecular weight of 356.81 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]urea is sourced from PubChem (CID 11710154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).