1-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)-3-(4-methylpentyl)urea

C14H23N5O2 — CID 138013404

IUPAC1-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)-3-(4-methylpentyl)urea
SMILESCC(C)CCCNC(=O)Nc1cc2n(n1)CCN(C)C2=O
InChIInChI=1S/C14H23N5O2/c1-10(2)5-4-6-15-14(21)16-12-9-11-13(20)18(3)7-8-19(11)17-12/h9-10H,4-8H2,1-3H3,(H2,15,16,17,21)
InChIKeyOMIOPQXLCVBTOG-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.53
Rot. Bonds5

About 1-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)-3-(4-methylpentyl)urea

1-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)-3-(4-methylpentyl)urea (PubChem CID 138013404) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)-3-(4-methylpentyl)urea.

Molecular Properties

Compound Name1-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)-3-(4-methylpentyl)urea
PubChem CID138013404
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name1-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)-3-(4-methylpentyl)urea
SMILESCC(C)CCCNC(=O)Nc1cc2n(n1)CCN(C)C2=O
InChIInChI=1S/C14H23N5O2/c1-10(2)5-4-6-15-14(21)16-12-9-11-13(20)18(3)7-8-19(11)17-12/h9-10H,4-8H2,1-3H3,(H2,15,16,17,21)
InChIKeyOMIOPQXLCVBTOG-UHFFFAOYSA-N
XLogP1.53
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)-3-(4-methylpentyl)urea?
The IUPAC name of 1-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)-3-(4-methylpentyl)urea (CID 138013404) is 1-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)-3-(4-methylpentyl)urea.
What is the SMILES notation for 1-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)-3-(4-methylpentyl)urea?
The canonical SMILES for 1-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)-3-(4-methylpentyl)urea is CC(C)CCCNC(=O)Nc1cc2n(n1)CCN(C)C2=O.
What is the InChIKey of 1-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)-3-(4-methylpentyl)urea?
The InChIKey is OMIOPQXLCVBTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-10(2)5-4-6-15-14(21)16-12-9-11-13(20)18(3)7-8-19(11)17-12/h9-10H,4-8H2,1-3H3,(H2,15,16,17,21).
What are the key properties of 1-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)-3-(4-methylpentyl)urea?
1-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)-3-(4-methylpentyl)urea has a molecular weight of 293.37 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)-3-(4-methylpentyl)urea is sourced from PubChem (CID 138013404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).