1-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-3-(2-fluoro-4-pyridin-4-yloxyphenyl)urea

C25H23F2N5O2 — CID 141209830

IUPAC1-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-3-(2-fluoro-4-pyridin-4-yloxyphenyl)urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccncc3)cc2F)n(-c2cccc(F)c2)n1
InChIInChI=1S/C25H23F2N5O2/c1-25(2,3)22-15-23(32(31-22)17-6-4-5-16(26)13-17)30-24(33)29-21-8-7-19(14-20(21)27)34-18-9-11-28-12-10-18/h4-15H,1-3H3,(H2,29,30,33)
InChIKeyMZOAWDBWIIJWJI-UHFFFAOYSA-N
MW463.49 g/mol
LogP6.28
Rot. Bonds5

About 1-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-3-(2-fluoro-4-pyridin-4-yloxyphenyl)urea

1-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-3-(2-fluoro-4-pyridin-4-yloxyphenyl)urea (PubChem CID 141209830) has the molecular formula C25H23F2N5O2 and a molecular weight of 463.49 g/mol. Its IUPAC name is 1-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-3-(2-fluoro-4-pyridin-4-yloxyphenyl)urea.

Molecular Properties

Compound Name1-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-3-(2-fluoro-4-pyridin-4-yloxyphenyl)urea
PubChem CID141209830
Molecular FormulaC25H23F2N5O2
Molecular Weight463.49 g/mol
Exact Mass463.18
IUPAC Name1-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-3-(2-fluoro-4-pyridin-4-yloxyphenyl)urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccncc3)cc2F)n(-c2cccc(F)c2)n1
InChIInChI=1S/C25H23F2N5O2/c1-25(2,3)22-15-23(32(31-22)17-6-4-5-16(26)13-17)30-24(33)29-21-8-7-19(14-20(21)27)34-18-9-11-28-12-10-18/h4-15H,1-3H3,(H2,29,30,33)
InChIKeyMZOAWDBWIIJWJI-UHFFFAOYSA-N
XLogP6.28
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.49
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea
CID 10972838
Mapk13-IN-1
CID 17941505
Cct196969
CID 42628843
Cct241161
CID 44132853
4-(4-(3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)ureido)phenoxy)-N-methylpicolinamide
CID 11947957
6-(2,4-difluorophenoxy)-N-(1-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 11610032
1-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
CID 11634929
1-(2-(2-chloropyrimidin-4-yloxy)benzyl)-3-(3-t-butyl-1-p-tolyl-1H-pyrazol-5-yl)urea
CID 17751188
1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-phenoxy-phenyl)-urea
CID 17941443
1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(pyridin-4-ylmethoxy)-phenyl]-urea
CID 17941464
6-(2,6-Difluorophenoxy)-N-(1-methyl-pyrazol-3-yl)-quinazolin-4-yl-amine
CID 23160266
1-[2-[2-(2-Ethylphenyl)-5-methylpyrazol-3-yl]oxypyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 24960128

Frequently Asked Questions

What is the IUPAC name of 1-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-3-(2-fluoro-4-pyridin-4-yloxyphenyl)urea?
The IUPAC name of 1-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-3-(2-fluoro-4-pyridin-4-yloxyphenyl)urea (CID 141209830) is 1-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-3-(2-fluoro-4-pyridin-4-yloxyphenyl)urea.
What is the SMILES notation for 1-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-3-(2-fluoro-4-pyridin-4-yloxyphenyl)urea?
The canonical SMILES for 1-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-3-(2-fluoro-4-pyridin-4-yloxyphenyl)urea is CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccncc3)cc2F)n(-c2cccc(F)c2)n1.
What is the InChIKey of 1-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-3-(2-fluoro-4-pyridin-4-yloxyphenyl)urea?
The InChIKey is MZOAWDBWIIJWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O2/c1-25(2,3)22-15-23(32(31-22)17-6-4-5-16(26)13-17)30-24(33)29-21-8-7-19(14-20(21)27)34-18-9-11-28-12-10-18/h4-15H,1-3H3,(H2,29,30,33).
What are the key properties of 1-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-3-(2-fluoro-4-pyridin-4-yloxyphenyl)urea?
1-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-3-(2-fluoro-4-pyridin-4-yloxyphenyl)urea has a molecular weight of 463.49 g/mol, XLogP of 6.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-3-(2-fluoro-4-pyridin-4-yloxyphenyl)urea is sourced from PubChem (CID 141209830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).