1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea

C17H21FN4O — CID 139011819

IUPAC1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
SMILESCC(C)Cn1cc(NC(=O)NC2CCc3cc(F)ccc32)cn1
InChIInChI=1S/C17H21FN4O/c1-11(2)9-22-10-14(8-19-22)20-17(23)21-16-6-3-12-7-13(18)4-5-15(12)16/h4-5,7-8,10-11,16H,3,6,9H2,1-2H3,(H2,20,21,23)
InChIKeyGIXRPZBUIYUCGH-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.49
Rot. Bonds4

About 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea

1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea (PubChem CID 139011819) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
PubChem CID139011819
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
SMILESCC(C)Cn1cc(NC(=O)NC2CCc3cc(F)ccc32)cn1
InChIInChI=1S/C17H21FN4O/c1-11(2)9-22-10-14(8-19-22)20-17(23)21-16-6-3-12-7-13(18)4-5-15(12)16/h4-5,7-8,10-11,16H,3,6,9H2,1-2H3,(H2,20,21,23)
InChIKeyGIXRPZBUIYUCGH-UHFFFAOYSA-N
XLogP3.49
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea?
The IUPAC name of 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea (CID 139011819) is 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea is CC(C)Cn1cc(NC(=O)NC2CCc3cc(F)ccc32)cn1.
What is the InChIKey of 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea?
The InChIKey is GIXRPZBUIYUCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-11(2)9-22-10-14(8-19-22)20-17(23)21-16-6-3-12-7-13(18)4-5-15(12)16/h4-5,7-8,10-11,16H,3,6,9H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea?
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea has a molecular weight of 316.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea is sourced from PubChem (CID 139011819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).