1-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea

C18H26N6O — CID 166603615

IUPAC1-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea
SMILESCN(C)C(=O)N(C)C1CCCN(c2nccn3nc(C4CC4)cc23)C1
InChIInChI=1S/C18H26N6O/c1-21(2)18(25)22(3)14-5-4-9-23(12-14)17-16-11-15(13-6-7-13)20-24(16)10-8-19-17/h8,10-11,13-14H,4-7,9,12H2,1-3H3
InChIKeyKIQCMZJEGFWFQM-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.19
Rot. Bonds3

About 1-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea

1-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea (PubChem CID 166603615) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea.

Molecular Properties

Compound Name1-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea
PubChem CID166603615
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name1-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea
SMILESCN(C)C(=O)N(C)C1CCCN(c2nccn3nc(C4CC4)cc23)C1
InChIInChI=1S/C18H26N6O/c1-21(2)18(25)22(3)14-5-4-9-23(12-14)17-16-11-15(13-6-7-13)20-24(16)10-8-19-17/h8,10-11,13-14H,4-7,9,12H2,1-3H3
InChIKeyKIQCMZJEGFWFQM-UHFFFAOYSA-N
XLogP2.19
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)azepan-4-ol
CID 171691218
N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171997253
N-methyl-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]methanesulfonamide
CID 166603510
2-cyclopropyl-4-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrazolo[1,5-a]pyrazine
CID 172903501
2-cyclopropyl-4-(3,3-difluoroazetidin-1-yl)pyrazolo[1,5-a]pyrazine
CID 171995190
1-(2-cyclobutylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carbonitrile
CID 166248443
2-cyclopropyl-4-[3-(fluoromethyl)azetidin-1-yl]pyrazolo[1,5-a]pyrazine
CID 171994745
5-chloro-N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 155981617
5-bromo-N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 171328996
N-[[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881969
1,1,3-trimethyl-3-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]urea
CID 166606087
1-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-1,3,3-trimethylurea
CID 166601948

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea?
The IUPAC name of 1-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea (CID 166603615) is 1-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea.
What is the SMILES notation for 1-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea?
The canonical SMILES for 1-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea is CN(C)C(=O)N(C)C1CCCN(c2nccn3nc(C4CC4)cc23)C1.
What is the InChIKey of 1-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea?
The InChIKey is KIQCMZJEGFWFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-21(2)18(25)22(3)14-5-4-9-23(12-14)17-16-11-15(13-6-7-13)20-24(16)10-8-19-17/h8,10-11,13-14H,4-7,9,12H2,1-3H3.
What are the key properties of 1-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea?
1-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea has a molecular weight of 342.45 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea is sourced from PubChem (CID 166603615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).