1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-(1-methylpyrazol-3-yl)urea

C15H18FN5O — CID 86799685

IUPAC1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-(1-methylpyrazol-3-yl)urea
SMILESCn1ccc(NC(=O)Nc2cc(F)cc(N3CCCC3)c2)n1
InChIInChI=1S/C15H18FN5O/c1-20-7-4-14(19-20)18-15(22)17-12-8-11(16)9-13(10-12)21-5-2-3-6-21/h4,7-10H,2-3,5-6H2,1H3,(H2,17,18,19,22)
InChIKeyIURQPKRKXAZISA-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.80
Rot. Bonds3

About 1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-(1-methylpyrazol-3-yl)urea

1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-(1-methylpyrazol-3-yl)urea (PubChem CID 86799685) has the molecular formula C15H18FN5O and a molecular weight of 303.34 g/mol. Its IUPAC name is 1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-(1-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-(1-methylpyrazol-3-yl)urea
PubChem CID86799685
Molecular FormulaC15H18FN5O
Molecular Weight303.34 g/mol
Exact Mass303.15
IUPAC Name1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-(1-methylpyrazol-3-yl)urea
SMILESCn1ccc(NC(=O)Nc2cc(F)cc(N3CCCC3)c2)n1
InChIInChI=1S/C15H18FN5O/c1-20-7-4-14(19-20)18-15(22)17-12-8-11(16)9-13(10-12)21-5-2-3-6-21/h4,7-10H,2-3,5-6H2,1H3,(H2,17,18,19,22)
InChIKeyIURQPKRKXAZISA-UHFFFAOYSA-N
XLogP2.80
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-(1-methylpyrazol-3-yl)urea?
The IUPAC name of 1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-(1-methylpyrazol-3-yl)urea (CID 86799685) is 1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-(1-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-(1-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-(1-methylpyrazol-3-yl)urea is Cn1ccc(NC(=O)Nc2cc(F)cc(N3CCCC3)c2)n1.
What is the InChIKey of 1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-(1-methylpyrazol-3-yl)urea?
The InChIKey is IURQPKRKXAZISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O/c1-20-7-4-14(19-20)18-15(22)17-12-8-11(16)9-13(10-12)21-5-2-3-6-21/h4,7-10H,2-3,5-6H2,1H3,(H2,17,18,19,22).
What are the key properties of 1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-(1-methylpyrazol-3-yl)urea?
1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-(1-methylpyrazol-3-yl)urea has a molecular weight of 303.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-(1-methylpyrazol-3-yl)urea is sourced from PubChem (CID 86799685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).