1-butyl-3-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea

C17H23FN4O — CID 19447780

IUPAC1-butyl-3-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea
SMILESCCCCNC(=O)Nc1c(C)nn(Cc2ccc(F)cc2)c1C
InChIInChI=1S/C17H23FN4O/c1-4-5-10-19-17(23)20-16-12(2)21-22(13(16)3)11-14-6-8-15(18)9-7-14/h6-9H,4-5,10-11H2,1-3H3,(H2,19,20,23)
InChIKeySZLWBJVGRHQRMQ-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.61
Rot. Bonds6

About 1-butyl-3-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea

1-butyl-3-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea (PubChem CID 19447780) has the molecular formula C17H23FN4O and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-butyl-3-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea.

Molecular Properties

Compound Name1-butyl-3-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea
PubChem CID19447780
Molecular FormulaC17H23FN4O
Molecular Weight318.40 g/mol
Exact Mass318.19
IUPAC Name1-butyl-3-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea
SMILESCCCCNC(=O)Nc1c(C)nn(Cc2ccc(F)cc2)c1C
InChIInChI=1S/C17H23FN4O/c1-4-5-10-19-17(23)20-16-12(2)21-22(13(16)3)11-14-6-8-15(18)9-7-14/h6-9H,4-5,10-11H2,1-3H3,(H2,19,20,23)
InChIKeySZLWBJVGRHQRMQ-UHFFFAOYSA-N
XLogP3.61
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-butyl-3-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]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-butyl-3-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiourea
CID 19342568
5-chloro-1-[(4-fluorophenyl)methyl]-N-hexyl-3-methylpyrazole-4-carboxamide
CID 32647072
1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiourea
CID 19573129
5-ethyl-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 46246339
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 4121548
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methoxybenzamide
CID 19409659
1-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-[(4-fluorophenyl)methyl]thiourea
CID 19677964
1-(4-ethylphenyl)-3-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiourea
CID 19342478
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19409753
2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 61294269
2-chloro-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19405940
1-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-(3,5-dimethylphenyl)urea
CID 17374877

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea?
The IUPAC name of 1-butyl-3-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea (CID 19447780) is 1-butyl-3-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea.
What is the SMILES notation for 1-butyl-3-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea?
The canonical SMILES for 1-butyl-3-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea is CCCCNC(=O)Nc1c(C)nn(Cc2ccc(F)cc2)c1C.
What is the InChIKey of 1-butyl-3-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea?
The InChIKey is SZLWBJVGRHQRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O/c1-4-5-10-19-17(23)20-16-12(2)21-22(13(16)3)11-14-6-8-15(18)9-7-14/h6-9H,4-5,10-11H2,1-3H3,(H2,19,20,23).
What are the key properties of 1-butyl-3-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea?
1-butyl-3-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea has a molecular weight of 318.40 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea is sourced from PubChem (CID 19447780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).