1-(4-ethoxyphenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]urea

C19H19FN4O2 — CID 1295171

IUPAC1-(4-ethoxyphenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]urea
SMILESCCOc1ccc(NC(=O)Nc2ccn(Cc3ccccc3F)n2)cc1
InChIInChI=1S/C19H19FN4O2/c1-2-26-16-9-7-15(8-10-16)21-19(25)22-18-11-12-24(23-18)13-14-5-3-4-6-17(14)20/h3-12H,2,13H2,1H3,(H2,21,22,23,25)
InChIKeyPLVIZEVETDBNDU-UHFFFAOYSA-N
MW354.39 g/mol
LogP4.11
Rot. Bonds6

About 1-(4-ethoxyphenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]urea

1-(4-ethoxyphenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]urea (PubChem CID 1295171) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]urea
PubChem CID1295171
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name1-(4-ethoxyphenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]urea
SMILESCCOc1ccc(NC(=O)Nc2ccn(Cc3ccccc3F)n2)cc1
InChIInChI=1S/C19H19FN4O2/c1-2-26-16-9-7-15(8-10-16)21-19(25)22-18-11-12-24(23-18)13-14-5-3-4-6-17(14)20/h3-12H,2,13H2,1H3,(H2,21,22,23,25)
InChIKeyPLVIZEVETDBNDU-UHFFFAOYSA-N
XLogP4.11
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]urea (CID 1295171) is 1-(4-ethoxyphenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]urea is CCOc1ccc(NC(=O)Nc2ccn(Cc3ccccc3F)n2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]urea?
The InChIKey is PLVIZEVETDBNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-2-26-16-9-7-15(8-10-16)21-19(25)22-18-11-12-24(23-18)13-14-5-3-4-6-17(14)20/h3-12H,2,13H2,1H3,(H2,21,22,23,25).
What are the key properties of 1-(4-ethoxyphenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]urea?
1-(4-ethoxyphenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]urea has a molecular weight of 354.39 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]urea is sourced from PubChem (CID 1295171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).