1-(4-fluorophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea

C14H17FN4O — CID 34695112

IUPAC1-(4-fluorophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
SMILESCc1[nH]ncc1CCCNC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H17FN4O/c1-10-11(9-17-19-10)3-2-8-16-14(20)18-13-6-4-12(15)5-7-13/h4-7,9H,2-3,8H2,1H3,(H,17,19)(H2,16,18,20)
InChIKeyUUYLFDRFGYIIPU-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.61
Rot. Bonds5

About 1-(4-fluorophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea

1-(4-fluorophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea (PubChem CID 34695112) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
PubChem CID34695112
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name1-(4-fluorophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
SMILESCc1[nH]ncc1CCCNC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H17FN4O/c1-10-11(9-17-19-10)3-2-8-16-14(20)18-13-6-4-12(15)5-7-13/h4-7,9H,2-3,8H2,1H3,(H,17,19)(H2,16,18,20)
InChIKeyUUYLFDRFGYIIPU-UHFFFAOYSA-N
XLogP2.61
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-fluorophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea (CID 34695112) is 1-(4-fluorophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea is Cc1[nH]ncc1CCCNC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea?
The InChIKey is UUYLFDRFGYIIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-10-11(9-17-19-10)3-2-8-16-14(20)18-13-6-4-12(15)5-7-13/h4-7,9H,2-3,8H2,1H3,(H,17,19)(H2,16,18,20).
What are the key properties of 1-(4-fluorophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea?
1-(4-fluorophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea has a molecular weight of 276.31 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea is sourced from PubChem (CID 34695112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).