1-(2,4-difluorophenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]urea

C18H16F2N4O2 — CID 2205387

IUPAC1-(2,4-difluorophenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]urea
SMILESCOc1cccc(Cn2cc(NC(=O)Nc3ccc(F)cc3F)cn2)c1
InChIInChI=1S/C18H16F2N4O2/c1-26-15-4-2-3-12(7-15)10-24-11-14(9-21-24)22-18(25)23-17-6-5-13(19)8-16(17)20/h2-9,11H,10H2,1H3,(H2,22,23,25)
InChIKeyACSWCMGFMMDNJF-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.86
Rot. Bonds5

About 1-(2,4-difluorophenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]urea

1-(2,4-difluorophenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]urea (PubChem CID 2205387) has the molecular formula C18H16F2N4O2 and a molecular weight of 358.35 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]urea
PubChem CID2205387
Molecular FormulaC18H16F2N4O2
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name1-(2,4-difluorophenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]urea
SMILESCOc1cccc(Cn2cc(NC(=O)Nc3ccc(F)cc3F)cn2)c1
InChIInChI=1S/C18H16F2N4O2/c1-26-15-4-2-3-12(7-15)10-24-11-14(9-21-24)22-18(25)23-17-6-5-13(19)8-16(17)20/h2-9,11H,10H2,1H3,(H2,22,23,25)
InChIKeyACSWCMGFMMDNJF-UHFFFAOYSA-N
XLogP3.86
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]urea (CID 2205387) is 1-(2,4-difluorophenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]urea is COc1cccc(Cn2cc(NC(=O)Nc3ccc(F)cc3F)cn2)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]urea?
The InChIKey is ACSWCMGFMMDNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2/c1-26-15-4-2-3-12(7-15)10-24-11-14(9-21-24)22-18(25)23-17-6-5-13(19)8-16(17)20/h2-9,11H,10H2,1H3,(H2,22,23,25).
What are the key properties of 1-(2,4-difluorophenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]urea?
1-(2,4-difluorophenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]urea has a molecular weight of 358.35 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]urea is sourced from PubChem (CID 2205387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).