1-(3,5-difluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea

C21H15F2N5O — CID 58302805

IUPAC1-(3,5-difluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea
SMILESO=C(Nc1cc(F)cc(F)c1)Nc1cccc(-c2[nH]ncc2-c2ccncc2)c1
InChIInChI=1S/C21H15F2N5O/c22-15-9-16(23)11-18(10-15)27-21(29)26-17-3-1-2-14(8-17)20-19(12-25-28-20)13-4-6-24-7-5-13/h1-12H,(H,25,28)(H2,26,27,29)
InChIKeyZMBZYLJYZJMYNA-UHFFFAOYSA-N
MW391.38 g/mol
LogP5.06
Rot. Bonds4

About 1-(3,5-difluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea

1-(3,5-difluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea (PubChem CID 58302805) has the molecular formula C21H15F2N5O and a molecular weight of 391.38 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea
PubChem CID58302805
Molecular FormulaC21H15F2N5O
Molecular Weight391.38 g/mol
Exact Mass391.12
IUPAC Name1-(3,5-difluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea
SMILESO=C(Nc1cc(F)cc(F)c1)Nc1cccc(-c2[nH]ncc2-c2ccncc2)c1
InChIInChI=1S/C21H15F2N5O/c22-15-9-16(23)11-18(10-15)27-21(29)26-17-3-1-2-14(8-17)20-19(12-25-28-20)13-4-6-24-7-5-13/h1-12H,(H,25,28)(H2,26,27,29)
InChIKeyZMBZYLJYZJMYNA-UHFFFAOYSA-N
XLogP5.06
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.38
LogP ≤ 55.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(3,5-difluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea?
The IUPAC name of 1-(3,5-difluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea (CID 58302805) is 1-(3,5-difluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea is O=C(Nc1cc(F)cc(F)c1)Nc1cccc(-c2[nH]ncc2-c2ccncc2)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea?
The InChIKey is ZMBZYLJYZJMYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N5O/c22-15-9-16(23)11-18(10-15)27-21(29)26-17-3-1-2-14(8-17)20-19(12-25-28-20)13-4-6-24-7-5-13/h1-12H,(H,25,28)(H2,26,27,29).
What are the key properties of 1-(3,5-difluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea?
1-(3,5-difluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea has a molecular weight of 391.38 g/mol, XLogP of 5.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea is sourced from PubChem (CID 58302805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).