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

C21H16FN5O — CID 58302777

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

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

1-(3-fluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea (PubChem CID 58302777) has the molecular formula C21H16FN5O and a molecular weight of 373.39 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea
PubChem CID58302777
Molecular FormulaC21H16FN5O
Molecular Weight373.39 g/mol
Exact Mass373.13
IUPAC Name1-(3-fluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea
SMILESO=C(Nc1cccc(F)c1)Nc1cccc(-c2[nH]ncc2-c2ccncc2)c1
InChIInChI=1S/C21H16FN5O/c22-16-4-2-6-18(12-16)26-21(28)25-17-5-1-3-15(11-17)20-19(13-24-27-20)14-7-9-23-10-8-14/h1-13H,(H,24,27)(H2,25,26,28)
InChIKeyBEROZRLGOZQJBP-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-(3-fluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea (CID 58302777) is 1-(3-fluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea is O=C(Nc1cccc(F)c1)Nc1cccc(-c2[nH]ncc2-c2ccncc2)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea?
The InChIKey is BEROZRLGOZQJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O/c22-16-4-2-6-18(12-16)26-21(28)25-17-5-1-3-15(11-17)20-19(13-24-27-20)14-7-9-23-10-8-14/h1-13H,(H,24,27)(H2,25,26,28).
What are the key properties of 1-(3-fluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea?
1-(3-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-(3-fluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea is sourced from PubChem (CID 58302777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).