1-(4-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea

C13H15FN4O — CID 24616525

IUPAC1-(4-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
SMILESCc1nn(C)c(C)c1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H15FN4O/c1-8-12(9(2)18(3)17-8)16-13(19)15-11-6-4-10(14)5-7-11/h4-7H,1-3H3,(H2,15,16,19)
InChIKeyKSXYGQNZZBBUAT-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.82
Rot. Bonds2

About 1-(4-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea

1-(4-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea (PubChem CID 24616525) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
PubChem CID24616525
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name1-(4-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
SMILESCc1nn(C)c(C)c1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H15FN4O/c1-8-12(9(2)18(3)17-8)16-13(19)15-11-6-4-10(14)5-7-11/h4-7H,1-3H3,(H2,15,16,19)
InChIKeyKSXYGQNZZBBUAT-UHFFFAOYSA-N
XLogP2.82
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Fluorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea
CID 2807997
3,5-Dimethyl-pyrazole-1-carboxylic acid phenylamide
CID 301738
1-(3,4-Dichlorophenyl)-3-(1,3,5-trimethyl-4-pyrazolyl)urea
CID 4885280
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-fluorophenyl)propanamide
CID 16193708
1-(2,4-difluorophenyl)-3-[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl]urea
CID 44589665
N-[3-(tert-butyl)-1-methyl-1H-pyrazol-5-yl]-N'-(2,4-difluorophenyl)urea
CID 2811751
1-(2-Fluoro-phenyl)-3-(1-methyl-1H-benzotriazol-5-yl)-urea
CID 900432
N-[3-(trifluoromethyl)phenyl]-N'-(1,3,5-trimethyl-1H-pyrazol-4-yl)urea
CID 970204
2-(3,5-Dimethyl-pyrazol-1-yl)-N-phenyl-acetamide
CID 2053745
1-(2,4-difluorophenyl)-3-(1,3-dimethyl-1H-pyrazol-5-yl)urea
CID 2811437
1-(3,4-Difluorophenyl)-3-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea
CID 71812406
1-(1,3-Dimethylpyrazol-4-yl)-3-(4-fluorophenyl)urea
CID 2811435

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea (CID 24616525) is 1-(4-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea is Cc1nn(C)c(C)c1NC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea?
The InChIKey is KSXYGQNZZBBUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-8-12(9(2)18(3)17-8)16-13(19)15-11-6-4-10(14)5-7-11/h4-7H,1-3H3,(H2,15,16,19).
What are the key properties of 1-(4-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea?
1-(4-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea has a molecular weight of 262.29 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea is sourced from PubChem (CID 24616525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).