1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea

C18H30N6O — CID 71870305

IUPAC1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
SMILESCC(C)Cn1ccnc1CNC(=O)Nc1cc(CC(C)(C)C)nn1C
InChIInChI=1S/C18H30N6O/c1-13(2)12-24-8-7-19-16(24)11-20-17(25)21-15-9-14(22-23(15)6)10-18(3,4)5/h7-9,13H,10-12H2,1-6H3,(H2,20,21,25)
InChIKeyIOLYUCNVQYGJFY-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.18
Rot. Bonds6

About 1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea

1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea (PubChem CID 71870305) has the molecular formula C18H30N6O and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
PubChem CID71870305
Molecular FormulaC18H30N6O
Molecular Weight346.48 g/mol
Exact Mass346.25
IUPAC Name1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
SMILESCC(C)Cn1ccnc1CNC(=O)Nc1cc(CC(C)(C)C)nn1C
InChIInChI=1S/C18H30N6O/c1-13(2)12-24-8-7-19-16(24)11-20-17(25)21-15-9-14(22-23(15)6)10-18(3,4)5/h7-9,13H,10-12H2,1-6H3,(H2,20,21,25)
InChIKeyIOLYUCNVQYGJFY-UHFFFAOYSA-N
XLogP3.18
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea with MolForge

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Related Compounds

1-(2-tert-butylpyrimidin-5-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
CID 71926143
1-(4-hydroxy-2,2-dimethylbutyl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
CID 111507230
1-[(2R)-1-hydroxypropan-2-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
CID 95965670
N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119822905
N-methyl-N-[3-[[1-(2-methylpropyl)imidazol-2-yl]methylcarbamoylamino]phenyl]acetamide
CID 71984767
3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide
CID 119892665
1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
CID 84586574
1-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119892622
1-(3,4-dihydro-2H-chromen-6-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
CID 71992418
4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]butanamide
CID 119892667
4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pentanamide;dihydrochloride
CID 120565762
1-[(5-bromopyrazin-2-yl)methyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea
CID 126820728

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea?
The IUPAC name of 1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea (CID 71870305) is 1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea.
What is the SMILES notation for 1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea?
The canonical SMILES for 1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea is CC(C)Cn1ccnc1CNC(=O)Nc1cc(CC(C)(C)C)nn1C.
What is the InChIKey of 1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea?
The InChIKey is IOLYUCNVQYGJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O/c1-13(2)12-24-8-7-19-16(24)11-20-17(25)21-15-9-14(22-23(15)6)10-18(3,4)5/h7-9,13H,10-12H2,1-6H3,(H2,20,21,25).
What are the key properties of 1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea?
1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea has a molecular weight of 346.48 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea is sourced from PubChem (CID 71870305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).