1-(2-fluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea

C21H16FN5O — CID 58302796

IUPAC1-(2-fluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea
SMILESO=C(Nc1cccc(-c2[nH]ncc2-c2ccncc2)c1)Nc1ccccc1F
InChIInChI=1S/C21H16FN5O/c22-18-6-1-2-7-19(18)26-21(28)25-16-5-3-4-15(12-16)20-17(13-24-27-20)14-8-10-23-11-9-14/h1-13H,(H,24,27)(H2,25,26,28)
InChIKeyFAKJEGIJYRGKSO-UHFFFAOYSA-N
MW373.39 g/mol
LogP4.92
Rot. Bonds4

About 1-(2-fluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea

1-(2-fluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea (PubChem CID 58302796) has the molecular formula C21H16FN5O and a molecular weight of 373.39 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea
PubChem CID58302796
Molecular FormulaC21H16FN5O
Molecular Weight373.39 g/mol
Exact Mass373.13
IUPAC Name1-(2-fluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea
SMILESO=C(Nc1cccc(-c2[nH]ncc2-c2ccncc2)c1)Nc1ccccc1F
InChIInChI=1S/C21H16FN5O/c22-18-6-1-2-7-19(18)26-21(28)25-16-5-3-4-15(12-16)20-17(13-24-27-20)14-8-10-23-11-9-14/h1-13H,(H,24,27)(H2,25,26,28)
InChIKeyFAKJEGIJYRGKSO-UHFFFAOYSA-N
XLogP4.92
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea (CID 58302796) is 1-(2-fluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea is O=C(Nc1cccc(-c2[nH]ncc2-c2ccncc2)c1)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea?
The InChIKey is FAKJEGIJYRGKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O/c22-18-6-1-2-7-19(18)26-21(28)25-16-5-3-4-15(12-16)20-17(13-24-27-20)14-8-10-23-11-9-14/h1-13H,(H,24,27)(H2,25,26,28).
What are the key properties of 1-(2-fluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea?
1-(2-fluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea has a molecular weight of 373.39 g/mol, XLogP of 4.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea is sourced from PubChem (CID 58302796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).