1-(2-fluoro-6-methoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea

C12H13FN4O2 — CID 99835973

IUPAC1-(2-fluoro-6-methoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea
SMILESCOc1cccc(F)c1NC(=O)Nc1cc(C)[nH]n1
InChIInChI=1S/C12H13FN4O2/c1-7-6-10(17-16-7)14-12(18)15-11-8(13)4-3-5-9(11)19-2/h3-6H,1-2H3,(H3,14,15,16,17,18)
InChIKeyHDIGZGHCXCEMNN-UHFFFAOYSA-N
MW264.26 g/mol
LogP2.51
Rot. Bonds3

About 1-(2-fluoro-6-methoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea

1-(2-fluoro-6-methoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea (PubChem CID 99835973) has the molecular formula C12H13FN4O2 and a molecular weight of 264.26 g/mol. Its IUPAC name is 1-(2-fluoro-6-methoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(2-fluoro-6-methoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea
PubChem CID99835973
Molecular FormulaC12H13FN4O2
Molecular Weight264.26 g/mol
Exact Mass264.10
IUPAC Name1-(2-fluoro-6-methoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea
SMILESCOc1cccc(F)c1NC(=O)Nc1cc(C)[nH]n1
InChIInChI=1S/C12H13FN4O2/c1-7-6-10(17-16-7)14-12(18)15-11-8(13)4-3-5-9(11)19-2/h3-6H,1-2H3,(H3,14,15,16,17,18)
InChIKeyHDIGZGHCXCEMNN-UHFFFAOYSA-N
XLogP2.51
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea?
The IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea (CID 99835973) is 1-(2-fluoro-6-methoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea.
What is the SMILES notation for 1-(2-fluoro-6-methoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea?
The canonical SMILES for 1-(2-fluoro-6-methoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea is COc1cccc(F)c1NC(=O)Nc1cc(C)[nH]n1.
What is the InChIKey of 1-(2-fluoro-6-methoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea?
The InChIKey is HDIGZGHCXCEMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2/c1-7-6-10(17-16-7)14-12(18)15-11-8(13)4-3-5-9(11)19-2/h3-6H,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 1-(2-fluoro-6-methoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea?
1-(2-fluoro-6-methoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea has a molecular weight of 264.26 g/mol, XLogP of 2.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea is sourced from PubChem (CID 99835973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).