3-(1,5-dimethylpyrazol-4-yl)-1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]urea

C14H22N6O — CID 72864285

IUPAC3-(1,5-dimethylpyrazol-4-yl)-1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]urea
SMILESCc1c(NC(=O)N(C)CCCc2cnn(C)c2)cnn1C
InChIInChI=1S/C14H22N6O/c1-11-13(9-16-20(11)4)17-14(21)18(2)7-5-6-12-8-15-19(3)10-12/h8-10H,5-7H2,1-4H3,(H,17,21)
InChIKeyUPAAOXVWGOKQLP-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.56
Rot. Bonds5

About 3-(1,5-dimethylpyrazol-4-yl)-1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]urea

3-(1,5-dimethylpyrazol-4-yl)-1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]urea (PubChem CID 72864285) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-(1,5-dimethylpyrazol-4-yl)-1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]urea.

Molecular Properties

Compound Name3-(1,5-dimethylpyrazol-4-yl)-1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]urea
PubChem CID72864285
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name3-(1,5-dimethylpyrazol-4-yl)-1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]urea
SMILESCc1c(NC(=O)N(C)CCCc2cnn(C)c2)cnn1C
InChIInChI=1S/C14H22N6O/c1-11-13(9-16-20(11)4)17-14(21)18(2)7-5-6-12-8-15-19(3)10-12/h8-10H,5-7H2,1-4H3,(H,17,21)
InChIKeyUPAAOXVWGOKQLP-UHFFFAOYSA-N
XLogP1.56
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]urea?
The IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]urea (CID 72864285) is 3-(1,5-dimethylpyrazol-4-yl)-1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]urea.
What is the SMILES notation for 3-(1,5-dimethylpyrazol-4-yl)-1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]urea?
The canonical SMILES for 3-(1,5-dimethylpyrazol-4-yl)-1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]urea is Cc1c(NC(=O)N(C)CCCc2cnn(C)c2)cnn1C.
What is the InChIKey of 3-(1,5-dimethylpyrazol-4-yl)-1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]urea?
The InChIKey is UPAAOXVWGOKQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-11-13(9-16-20(11)4)17-14(21)18(2)7-5-6-12-8-15-19(3)10-12/h8-10H,5-7H2,1-4H3,(H,17,21).
What are the key properties of 3-(1,5-dimethylpyrazol-4-yl)-1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]urea?
3-(1,5-dimethylpyrazol-4-yl)-1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]urea has a molecular weight of 290.37 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethylpyrazol-4-yl)-1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]urea is sourced from PubChem (CID 72864285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).