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

C18H17FN4O2 — CID 35521178

IUPAC1-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)c1
InChIInChI=1S/C18H17FN4O2/c1-12-10-17(23(22-12)15-8-6-13(19)7-9-15)21-18(24)20-14-4-3-5-16(11-14)25-2/h3-11H,1-2H3,(H2,20,21,24)
InChIKeyYWCGJMFUMXWKAZ-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.97
Rot. Bonds4

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

1-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(3-methoxyphenyl)urea (PubChem CID 35521178) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(3-methoxyphenyl)urea
PubChem CID35521178
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name1-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)c1
InChIInChI=1S/C18H17FN4O2/c1-12-10-17(23(22-12)15-8-6-13(19)7-9-15)21-18(24)20-14-4-3-5-16(11-14)25-2/h3-11H,1-2H3,(H2,20,21,24)
InChIKeyYWCGJMFUMXWKAZ-UHFFFAOYSA-N
XLogP3.97
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(3-methoxyphenyl)urea (CID 35521178) is 1-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)c1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(3-methoxyphenyl)urea?
The InChIKey is YWCGJMFUMXWKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-12-10-17(23(22-12)15-8-6-13(19)7-9-15)21-18(24)20-14-4-3-5-16(11-14)25-2/h3-11H,1-2H3,(H2,20,21,24).
What are the key properties of 1-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(3-methoxyphenyl)urea?
1-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(3-methoxyphenyl)urea has a molecular weight of 340.36 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 35521178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).