3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(furan-2-ylmethyl)-1-methylurea

C16H24N4O2 — CID 51085046

IUPAC3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(furan-2-ylmethyl)-1-methylurea
SMILESCc1cc(C)n(CC(C)CNC(=O)N(C)Cc2ccco2)n1
InChIInChI=1S/C16H24N4O2/c1-12(10-20-14(3)8-13(2)18-20)9-17-16(21)19(4)11-15-6-5-7-22-15/h5-8,12H,9-11H2,1-4H3,(H,17,21)
InChIKeyRVGVZADWYAEYHY-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.57
Rot. Bonds6

About 3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(furan-2-ylmethyl)-1-methylurea

3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(furan-2-ylmethyl)-1-methylurea (PubChem CID 51085046) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(furan-2-ylmethyl)-1-methylurea.

Molecular Properties

Compound Name3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(furan-2-ylmethyl)-1-methylurea
PubChem CID51085046
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(furan-2-ylmethyl)-1-methylurea
SMILESCc1cc(C)n(CC(C)CNC(=O)N(C)Cc2ccco2)n1
InChIInChI=1S/C16H24N4O2/c1-12(10-20-14(3)8-13(2)18-20)9-17-16(21)19(4)11-15-6-5-7-22-15/h5-8,12H,9-11H2,1-4H3,(H,17,21)
InChIKeyRVGVZADWYAEYHY-UHFFFAOYSA-N
XLogP2.57
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(furan-2-ylmethyl)-1-methylurea 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

N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]furan-2-carboxamide
CID 6499777
n-(3-(3,5-Dimethyl-1h-pyrazol-1-yl)propyl)furan-2-carboxamide
CID 19293679
N-[3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl]-5-methyl-2-furancarboxamide
CID 25162249
1,5-Dimethyl-1H-pyrazole-3-carboxylic acid 2-(((2-furanylmethyl)amino)thioxomethyl)hydrazide
CID 842829
N-(2-furylmethyl)-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-2-furamide
CID 1091759
3-(2,5-dimethylpyrazol-3-yl)-4-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-thione
CID 5069474
N-[2-(cyclohexen-1-yl)ethyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 660953
N-(furan-2-ylmethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 742286
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 1100801
2-{3,4-Dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}-N-[(furan-2-YL)methyl]propanamide
CID 16022770
N-cyclopropyl-2-{1-[(5-methyl-2-furyl)methyl]-3-oxopiperazin-2-yl}-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 16188732
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-{1-[(5-methyl-2-furyl)methyl]-3-oxo-2-piperazinyl}acetamide
CID 16191525

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(furan-2-ylmethyl)-1-methylurea?
The IUPAC name of 3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(furan-2-ylmethyl)-1-methylurea (CID 51085046) is 3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(furan-2-ylmethyl)-1-methylurea.
What is the SMILES notation for 3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(furan-2-ylmethyl)-1-methylurea?
The canonical SMILES for 3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(furan-2-ylmethyl)-1-methylurea is Cc1cc(C)n(CC(C)CNC(=O)N(C)Cc2ccco2)n1.
What is the InChIKey of 3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(furan-2-ylmethyl)-1-methylurea?
The InChIKey is RVGVZADWYAEYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12(10-20-14(3)8-13(2)18-20)9-17-16(21)19(4)11-15-6-5-7-22-15/h5-8,12H,9-11H2,1-4H3,(H,17,21).
What are the key properties of 3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(furan-2-ylmethyl)-1-methylurea?
3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(furan-2-ylmethyl)-1-methylurea has a molecular weight of 304.39 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(furan-2-ylmethyl)-1-methylurea is sourced from PubChem (CID 51085046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).