1-(3-fluorophenyl)-3-[2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea

C19H19FN6O2S — CID 24791986

IUPAC1-(3-fluorophenyl)-3-[2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea
SMILESO=C(Nc1cccc(F)c1)Nc1ccnn1C1CCN(C(=O)c2cscn2)CC1
InChIInChI=1S/C19H19FN6O2S/c20-13-2-1-3-14(10-13)23-19(28)24-17-4-7-22-26(17)15-5-8-25(9-6-15)18(27)16-11-29-12-21-16/h1-4,7,10-12,15H,5-6,8-9H2,(H2,23,24,28)
InChIKeyLHKGQBXYVLHTNZ-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.60
Rot. Bonds4

About 1-(3-fluorophenyl)-3-[2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea

1-(3-fluorophenyl)-3-[2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea (PubChem CID 24791986) has the molecular formula C19H19FN6O2S and a molecular weight of 414.47 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea
PubChem CID24791986
Molecular FormulaC19H19FN6O2S
Molecular Weight414.47 g/mol
Exact Mass414.13
IUPAC Name1-(3-fluorophenyl)-3-[2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea
SMILESO=C(Nc1cccc(F)c1)Nc1ccnn1C1CCN(C(=O)c2cscn2)CC1
InChIInChI=1S/C19H19FN6O2S/c20-13-2-1-3-14(10-13)23-19(28)24-17-4-7-22-26(17)15-5-8-25(9-6-15)18(27)16-11-29-12-21-16/h1-4,7,10-12,15H,5-6,8-9H2,(H2,23,24,28)
InChIKeyLHKGQBXYVLHTNZ-UHFFFAOYSA-N
XLogP3.60
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea (CID 24791986) is 1-(3-fluorophenyl)-3-[2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea is O=C(Nc1cccc(F)c1)Nc1ccnn1C1CCN(C(=O)c2cscn2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea?
The InChIKey is LHKGQBXYVLHTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O2S/c20-13-2-1-3-14(10-13)23-19(28)24-17-4-7-22-26(17)15-5-8-25(9-6-15)18(27)16-11-29-12-21-16/h1-4,7,10-12,15H,5-6,8-9H2,(H2,23,24,28).
What are the key properties of 1-(3-fluorophenyl)-3-[2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea?
1-(3-fluorophenyl)-3-[2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea has a molecular weight of 414.47 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea is sourced from PubChem (CID 24791986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).