1-(4-fluoro-2-methylphenyl)-3-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]urea

C16H15FN4O2 — CID 100767238

IUPAC1-(4-fluoro-2-methylphenyl)-3-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]urea
SMILESCc1ccc(-c2cc(NC(=O)Nc3ccc(F)cc3C)n[nH]2)o1
InChIInChI=1S/C16H15FN4O2/c1-9-7-11(17)4-5-12(9)18-16(22)19-15-8-13(20-21-15)14-6-3-10(2)23-14/h3-8H,1-2H3,(H3,18,19,20,21,22)
InChIKeyCDSXNBALJQVRMB-UHFFFAOYSA-N
MW314.32 g/mol
LogP4.07
Rot. Bonds3

About 1-(4-fluoro-2-methylphenyl)-3-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]urea

1-(4-fluoro-2-methylphenyl)-3-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]urea (PubChem CID 100767238) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-3-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-3-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]urea
PubChem CID100767238
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name1-(4-fluoro-2-methylphenyl)-3-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]urea
SMILESCc1ccc(-c2cc(NC(=O)Nc3ccc(F)cc3C)n[nH]2)o1
InChIInChI=1S/C16H15FN4O2/c1-9-7-11(17)4-5-12(9)18-16(22)19-15-8-13(20-21-15)14-6-3-10(2)23-14/h3-8H,1-2H3,(H3,18,19,20,21,22)
InChIKeyCDSXNBALJQVRMB-UHFFFAOYSA-N
XLogP4.07
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]urea?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]urea (CID 100767238) is 1-(4-fluoro-2-methylphenyl)-3-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]urea.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-3-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]urea?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-3-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]urea is Cc1ccc(-c2cc(NC(=O)Nc3ccc(F)cc3C)n[nH]2)o1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-3-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]urea?
The InChIKey is CDSXNBALJQVRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c1-9-7-11(17)4-5-12(9)18-16(22)19-15-8-13(20-21-15)14-6-3-10(2)23-14/h3-8H,1-2H3,(H3,18,19,20,21,22).
What are the key properties of 1-(4-fluoro-2-methylphenyl)-3-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]urea?
1-(4-fluoro-2-methylphenyl)-3-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]urea has a molecular weight of 314.32 g/mol, XLogP of 4.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-3-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]urea is sourced from PubChem (CID 100767238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).