1-(5-fluoro-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea

C11H12FN5O — CID 99599215

IUPAC1-(5-fluoro-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea
SMILESO=C(NCCn1cccn1)Nc1ccc(F)cn1
InChIInChI=1S/C11H12FN5O/c12-9-2-3-10(14-8-9)16-11(18)13-5-7-17-6-1-4-15-17/h1-4,6,8H,5,7H2,(H2,13,14,16,18)
InChIKeyLEULSLBABVGUCD-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.24
Rot. Bonds4

About 1-(5-fluoro-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea

1-(5-fluoro-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea (PubChem CID 99599215) has the molecular formula C11H12FN5O and a molecular weight of 249.25 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea
PubChem CID99599215
Molecular FormulaC11H12FN5O
Molecular Weight249.25 g/mol
Exact Mass249.10
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea
SMILESO=C(NCCn1cccn1)Nc1ccc(F)cn1
InChIInChI=1S/C11H12FN5O/c12-9-2-3-10(14-8-9)16-11(18)13-5-7-17-6-1-4-15-17/h1-4,6,8H,5,7H2,(H2,13,14,16,18)
InChIKeyLEULSLBABVGUCD-UHFFFAOYSA-N
XLogP1.24
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5-fluoro-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-3-(2-pyrazol-1-ylethyl)urea
CID 110747699
1-(5-bromo-6-methyl-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea
CID 99623557
1-(5-phenoxy-2-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 75456115
2-[2-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid
CID 62535953
4-fluoro-3-(2-pyrazol-1-ylethylcarbamoylamino)benzoic acid
CID 61461761
1-naphthalen-1-yl-3-(2-pyrazol-1-ylethyl)urea
CID 19589685
1-methyl-3-(2-pyrazol-1-ylethyl)urea
CID 23548396
3-methyl-2-(2-pyrazol-1-ylethylcarbamoylamino)benzoic acid
CID 61461235
1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-pyrazol-1-ylethyl)urea
CID 61461497
5-[(2-pyrazol-1-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090461
1-(5-fluoro-2-pyridinyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 83117451
5-bromo-2-(2-pyrazol-1-ylethylcarbamoylamino)benzoic acid
CID 62073502

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea (CID 99599215) is 1-(5-fluoro-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea is O=C(NCCn1cccn1)Nc1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea?
The InChIKey is LEULSLBABVGUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O/c12-9-2-3-10(14-8-9)16-11(18)13-5-7-17-6-1-4-15-17/h1-4,6,8H,5,7H2,(H2,13,14,16,18).
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea?
1-(5-fluoro-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea has a molecular weight of 249.25 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea is sourced from PubChem (CID 99599215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).