5-cyclopropyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,3-oxazole-4-carboxamide

C18H23N5O3 — CID 118782374

IUPAC5-cyclopropyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)C(=O)N1CCn2nc(CNC(=O)c3ncoc3C3CC3)cc2C1
InChIInChI=1S/C18H23N5O3/c1-11(2)18(25)22-5-6-23-14(9-22)7-13(21-23)8-19-17(24)15-16(12-3-4-12)26-10-20-15/h7,10-12H,3-6,8-9H2,1-2H3,(H,19,24)
InChIKeyUFBCBTMKIJOQQM-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.68
Rot. Bonds5

About 5-cyclopropyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,3-oxazole-4-carboxamide

5-cyclopropyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 118782374) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-cyclopropyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID118782374
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name5-cyclopropyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)C(=O)N1CCn2nc(CNC(=O)c3ncoc3C3CC3)cc2C1
InChIInChI=1S/C18H23N5O3/c1-11(2)18(25)22-5-6-23-14(9-22)7-13(21-23)8-19-17(24)15-16(12-3-4-12)26-10-20-15/h7,10-12H,3-6,8-9H2,1-2H3,(H,19,24)
InChIKeyUFBCBTMKIJOQQM-UHFFFAOYSA-N
XLogP1.68
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,3-oxazole-4-carboxamide (CID 118782374) is 5-cyclopropyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,3-oxazole-4-carboxamide is CC(C)C(=O)N1CCn2nc(CNC(=O)c3ncoc3C3CC3)cc2C1.
What is the InChIKey of 5-cyclopropyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is UFBCBTMKIJOQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-11(2)18(25)22-5-6-23-14(9-22)7-13(21-23)8-19-17(24)15-16(12-3-4-12)26-10-20-15/h7,10-12H,3-6,8-9H2,1-2H3,(H,19,24).
What are the key properties of 5-cyclopropyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,3-oxazole-4-carboxamide?
5-cyclopropyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118782374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).