1-[3-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea

C24H19F4N5O — CID 44622811

IUPAC1-[3-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(-c2nn(CCF)cc2-c2ccncc2)c1
InChIInChI=1S/C24H19F4N5O/c25-10-13-33-15-21(16-8-11-29-12-9-16)22(32-33)17-2-1-3-20(14-17)31-23(34)30-19-6-4-18(5-7-19)24(26,27)28/h1-9,11-12,14-15H,10,13H2,(H2,30,31,34)
InChIKeyMKMPKVXBQQQQCF-UHFFFAOYSA-N
MW469.44 g/mol
LogP6.24
Rot. Bonds6

About 1-[3-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea

1-[3-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 44622811) has the molecular formula C24H19F4N5O and a molecular weight of 469.44 g/mol. Its IUPAC name is 1-[3-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[3-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID44622811
Molecular FormulaC24H19F4N5O
Molecular Weight469.44 g/mol
Exact Mass469.15
IUPAC Name1-[3-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(-c2nn(CCF)cc2-c2ccncc2)c1
InChIInChI=1S/C24H19F4N5O/c25-10-13-33-15-21(16-8-11-29-12-9-16)22(32-33)17-2-1-3-20(14-17)31-23(34)30-19-6-4-18(5-7-19)24(26,27)28/h1-9,11-12,14-15H,10,13H2,(H2,30,31,34)
InChIKeyMKMPKVXBQQQQCF-UHFFFAOYSA-N
XLogP6.24
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.44
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[1-[2-(oxan-2-yloxy)ethyl]-4-pyridin-4-ylpyrazol-3-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 67184338
4-[1-ethyl-3-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 86626184
1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-[4-(methylsulfamoyl)phenyl]urea
CID 66547839
N-[4-[1-(thiophene-2-carbonyl)-3-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazol-4-yl]-2-pyridinyl]thiophene-2-carboxamide
CID 67235059
1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-3-(3-methylphenyl)urea;sulfur dioxide
CID 161462862
1-[3-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 59823462
1-[4-(pyridin-4-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 10248635
1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 727768
1-[4-[3-(3-chloro-4-hydroxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 142712062
2-(4-phenyl-3-pyridin-4-ylpyrazol-1-yl)ethanol
CID 20594015
1-(4-tert-butylphenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea
CID 44621736
1-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 3654278

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[3-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea (CID 44622811) is 1-[3-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[3-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[3-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(-c2nn(CCF)cc2-c2ccncc2)c1.
What is the InChIKey of 1-[3-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is MKMPKVXBQQQQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N5O/c25-10-13-33-15-21(16-8-11-29-12-9-16)22(32-33)17-2-1-3-20(14-17)31-23(34)30-19-6-4-18(5-7-19)24(26,27)28/h1-9,11-12,14-15H,10,13H2,(H2,30,31,34).
What are the key properties of 1-[3-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[3-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 469.44 g/mol, XLogP of 6.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 44622811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).