1,3-bis(1,5-dimethylpyrazol-3-yl)urea

C11H16N6O — CID 121387046

IUPAC1,3-bis(1,5-dimethylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2cc(C)n(C)n2)nn1C
InChIInChI=1S/C11H16N6O/c1-7-5-9(14-16(7)3)12-11(18)13-10-6-8(2)17(4)15-10/h5-6H,1-4H3,(H2,12,13,14,15,18)
InChIKeyINEVPIPEYBVUSK-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.41
Rot. Bonds2

About 1,3-bis(1,5-dimethylpyrazol-3-yl)urea

1,3-bis(1,5-dimethylpyrazol-3-yl)urea (PubChem CID 121387046) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 1,3-bis(1,5-dimethylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1,3-bis(1,5-dimethylpyrazol-3-yl)urea
PubChem CID121387046
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name1,3-bis(1,5-dimethylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2cc(C)n(C)n2)nn1C
InChIInChI=1S/C11H16N6O/c1-7-5-9(14-16(7)3)12-11(18)13-10-6-8(2)17(4)15-10/h5-6H,1-4H3,(H2,12,13,14,15,18)
InChIKeyINEVPIPEYBVUSK-UHFFFAOYSA-N
XLogP1.41
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1,3-bis(1,5-dimethylpyrazol-3-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

N-(1,3-dimethyl-1H-pyrazol-5-yl)-N'-methylurea
CID 2818773
N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 574162
N-[1-(2-cyanoethyl)-3-methyl-1H-pyrazol-5-yl]acetamide
CID 45791474
N-(2,5-Dimethylpyrazol-3-YL)-2,4-dimethylpiperazine-1-carboxamide
CID 71877042
N-(2,5-Dimethyl-2H-pyrazol-3-yl)-2,2-dimethyl-propionamide
CID 2818790
1,3-bis(1,3-dimethyl-1H-pyrazol-5-yl)urea
CID 45792257
4-Amino-7-Methylpyrazolo[1,5-A][1,3,5]triazin-2(1h)-One
CID 135475085
2-(diethylamino)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36802067
1-(1-Cyclopropylethyl)-3-(2,5-dimethylpyrazol-3-yl)urea
CID 45821194
1-(2,5-Dimethylpyrazol-3-yl)-3-(2-pyrrolidin-1-ylbutyl)urea
CID 45821213
1-Cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)urea
CID 47198275
1-(2,5-Dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)urea
CID 47363757

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1,5-dimethylpyrazol-3-yl)urea?
The IUPAC name of 1,3-bis(1,5-dimethylpyrazol-3-yl)urea (CID 121387046) is 1,3-bis(1,5-dimethylpyrazol-3-yl)urea.
What is the SMILES notation for 1,3-bis(1,5-dimethylpyrazol-3-yl)urea?
The canonical SMILES for 1,3-bis(1,5-dimethylpyrazol-3-yl)urea is Cc1cc(NC(=O)Nc2cc(C)n(C)n2)nn1C.
What is the InChIKey of 1,3-bis(1,5-dimethylpyrazol-3-yl)urea?
The InChIKey is INEVPIPEYBVUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-7-5-9(14-16(7)3)12-11(18)13-10-6-8(2)17(4)15-10/h5-6H,1-4H3,(H2,12,13,14,15,18).
What are the key properties of 1,3-bis(1,5-dimethylpyrazol-3-yl)urea?
1,3-bis(1,5-dimethylpyrazol-3-yl)urea has a molecular weight of 248.29 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1,5-dimethylpyrazol-3-yl)urea is sourced from PubChem (CID 121387046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).