1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2,4-difluorophenyl)urea

C15H18F2N4O — CID 2811751

IUPAC1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2,4-difluorophenyl)urea
SMILESCn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C15H18F2N4O/c1-15(2,3)12-8-13(21(4)20-12)19-14(22)18-11-6-5-9(16)7-10(11)17/h5-8H,1-4H3,(H2,18,19,22)
InChIKeyVYDNLCHYUJZOPZ-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.64
Rot. Bonds2

About 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2,4-difluorophenyl)urea

1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2,4-difluorophenyl)urea (PubChem CID 2811751) has the molecular formula C15H18F2N4O and a molecular weight of 308.33 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2,4-difluorophenyl)urea
PubChem CID2811751
Molecular FormulaC15H18F2N4O
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2,4-difluorophenyl)urea
SMILESCn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C15H18F2N4O/c1-15(2,3)12-8-13(21(4)20-12)19-14(22)18-11-6-5-9(16)7-10(11)17/h5-8H,1-4H3,(H2,18,19,22)
InChIKeyVYDNLCHYUJZOPZ-UHFFFAOYSA-N
XLogP3.64
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2,4-difluorophenyl)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

ML297
CID 56642816
1-(5-Tert-Butyl-2-Methyl-2h-Pyrazol-3-Yl)-3-(4-Chloro-Phenyl)-Urea
CID 446816
3-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-phenylurea
CID 736191
1-(1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)-3-phenylurea
CID 10915062
3-tert-butyl-1-phenyl-1H-pyrazol-5-amine
CID 770634
1-phenyl-3-[1-(propan-2-yl)-1H-pyrazol-5-yl]urea
CID 9361722
1-(4-Fluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]urea
CID 2810695
3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-phenylurea
CID 10871761
1-(2-Methylpyrazol-3-yl)-3-phenylurea
CID 2808767
N-(3,5-dimethylphenyl)-N'-(1-methyl-3-phenyl-1H-pyrazol-5-yl)urea
CID 2815275
1-(5-Tert-butyl-2-methyl-3-pyrazolyl)-3-(3,5-dichlorophenyl)urea
CID 2822406
N-(2-fluorophenyl)-N'-(1-methyl-3-phenyl-1H-pyrazol-5-yl)urea
CID 2815489

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2,4-difluorophenyl)urea (CID 2811751) is 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2,4-difluorophenyl)urea is Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2,4-difluorophenyl)urea?
The InChIKey is VYDNLCHYUJZOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O/c1-15(2,3)12-8-13(21(4)20-12)19-14(22)18-11-6-5-9(16)7-10(11)17/h5-8H,1-4H3,(H2,18,19,22).
What are the key properties of 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2,4-difluorophenyl)urea?
1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2,4-difluorophenyl)urea has a molecular weight of 308.33 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 2811751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).