(4-fluoro-1-methyl-3-phenylpyrazol-5-yl)urea

C11H11FN4O — CID 71040986

IUPAC(4-fluoro-1-methyl-3-phenylpyrazol-5-yl)urea
SMILESCn1nc(-c2ccccc2)c(F)c1NC(N)=O
InChIInChI=1S/C11H11FN4O/c1-16-10(14-11(13)17)8(12)9(15-16)7-5-3-2-4-6-7/h2-6H,1H3,(H3,13,14,17)
InChIKeyYUZUIXHWSOXMNK-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.72
Rot. Bonds2

About (4-fluoro-1-methyl-3-phenylpyrazol-5-yl)urea

(4-fluoro-1-methyl-3-phenylpyrazol-5-yl)urea (PubChem CID 71040986) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is (4-fluoro-1-methyl-3-phenylpyrazol-5-yl)urea.

Molecular Properties

Compound Name(4-fluoro-1-methyl-3-phenylpyrazol-5-yl)urea
PubChem CID71040986
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC Name(4-fluoro-1-methyl-3-phenylpyrazol-5-yl)urea
SMILESCn1nc(-c2ccccc2)c(F)c1NC(N)=O
InChIInChI=1S/C11H11FN4O/c1-16-10(14-11(13)17)8(12)9(15-16)7-5-3-2-4-6-7/h2-6H,1H3,(H3,13,14,17)
InChIKeyYUZUIXHWSOXMNK-UHFFFAOYSA-N
XLogP1.72
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1-methyl-3-phenylpyrazol-5-yl)urea?
The IUPAC name of (4-fluoro-1-methyl-3-phenylpyrazol-5-yl)urea (CID 71040986) is (4-fluoro-1-methyl-3-phenylpyrazol-5-yl)urea.
What is the SMILES notation for (4-fluoro-1-methyl-3-phenylpyrazol-5-yl)urea?
The canonical SMILES for (4-fluoro-1-methyl-3-phenylpyrazol-5-yl)urea is Cn1nc(-c2ccccc2)c(F)c1NC(N)=O.
What is the InChIKey of (4-fluoro-1-methyl-3-phenylpyrazol-5-yl)urea?
The InChIKey is YUZUIXHWSOXMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c1-16-10(14-11(13)17)8(12)9(15-16)7-5-3-2-4-6-7/h2-6H,1H3,(H3,13,14,17).
What are the key properties of (4-fluoro-1-methyl-3-phenylpyrazol-5-yl)urea?
(4-fluoro-1-methyl-3-phenylpyrazol-5-yl)urea has a molecular weight of 234.23 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1-methyl-3-phenylpyrazol-5-yl)urea is sourced from PubChem (CID 71040986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).