1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea

C18H19FN4O2 — CID 99856240

IUPAC1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
SMILESCc1cc(C[C@@H](C)NC(=O)Nc2cc(-c3ccco3)ccc2F)n[nH]1
InChIInChI=1S/C18H19FN4O2/c1-11(8-14-9-12(2)22-23-14)20-18(24)21-16-10-13(5-6-15(16)19)17-4-3-7-25-17/h3-7,9-11H,8H2,1-2H3,(H,22,23)(H2,20,21,24)/t11-/m1/s1
InChIKeyYIHHJYOTHPLGGL-LLVKDONJSA-N
MW342.37 g/mol
LogP3.87
Rot. Bonds5

About 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea

1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea (PubChem CID 99856240) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
PubChem CID99856240
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
SMILESCc1cc(C[C@@H](C)NC(=O)Nc2cc(-c3ccco3)ccc2F)n[nH]1
InChIInChI=1S/C18H19FN4O2/c1-11(8-14-9-12(2)22-23-14)20-18(24)21-16-10-13(5-6-15(16)19)17-4-3-7-25-17/h3-7,9-11H,8H2,1-2H3,(H,22,23)(H2,20,21,24)/t11-/m1/s1
InChIKeyYIHHJYOTHPLGGL-LLVKDONJSA-N
XLogP3.87
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?
The IUPAC name of 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea (CID 99856240) is 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea.
What is the SMILES notation for 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?
The canonical SMILES for 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea is Cc1cc(C[C@@H](C)NC(=O)Nc2cc(-c3ccco3)ccc2F)n[nH]1.
What is the InChIKey of 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?
The InChIKey is YIHHJYOTHPLGGL-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-11(8-14-9-12(2)22-23-14)20-18(24)21-16-10-13(5-6-15(16)19)17-4-3-7-25-17/h3-7,9-11H,8H2,1-2H3,(H,22,23)(H2,20,21,24)/t11-/m1/s1.
What are the key properties of 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?
1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea has a molecular weight of 342.37 g/mol, XLogP of 3.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea is sourced from PubChem (CID 99856240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).