N'-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-5-phenyl-1,2-oxazole-3-carbohydrazide

C18H14N6O3 — CID 86822821

IUPACN'-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-5-phenyl-1,2-oxazole-3-carbohydrazide
SMILESCc1nn2cccnc2c1C(=O)NNC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C18H14N6O3/c1-11-15(16-19-8-5-9-24(16)22-11)18(26)21-20-17(25)13-10-14(27-23-13)12-6-3-2-4-7-12/h2-10H,1H3,(H,20,25)(H,21,26)
InChIKeyQJDQWPCXAFWHIQ-UHFFFAOYSA-N
MW362.35 g/mol
LogP1.77
Rot. Bonds3

About N'-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-5-phenyl-1,2-oxazole-3-carbohydrazide

N'-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-5-phenyl-1,2-oxazole-3-carbohydrazide (PubChem CID 86822821) has the molecular formula C18H14N6O3 and a molecular weight of 362.35 g/mol. Its IUPAC name is N'-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-5-phenyl-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-5-phenyl-1,2-oxazole-3-carbohydrazide
PubChem CID86822821
Molecular FormulaC18H14N6O3
Molecular Weight362.35 g/mol
Exact Mass362.11
IUPAC NameN'-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-5-phenyl-1,2-oxazole-3-carbohydrazide
SMILESCc1nn2cccnc2c1C(=O)NNC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C18H14N6O3/c1-11-15(16-19-8-5-9-24(16)22-11)18(26)21-20-17(25)13-10-14(27-23-13)12-6-3-2-4-7-12/h2-10H,1H3,(H,20,25)(H,21,26)
InChIKeyQJDQWPCXAFWHIQ-UHFFFAOYSA-N
XLogP1.77
TPSA114.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-5-phenyl-1,2-oxazole-3-carbohydrazide?
The IUPAC name of N'-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-5-phenyl-1,2-oxazole-3-carbohydrazide (CID 86822821) is N'-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-5-phenyl-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for N'-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-5-phenyl-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for N'-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-5-phenyl-1,2-oxazole-3-carbohydrazide is Cc1nn2cccnc2c1C(=O)NNC(=O)c1cc(-c2ccccc2)on1.
What is the InChIKey of N'-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-5-phenyl-1,2-oxazole-3-carbohydrazide?
The InChIKey is QJDQWPCXAFWHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O3/c1-11-15(16-19-8-5-9-24(16)22-11)18(26)21-20-17(25)13-10-14(27-23-13)12-6-3-2-4-7-12/h2-10H,1H3,(H,20,25)(H,21,26).
What are the key properties of N'-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-5-phenyl-1,2-oxazole-3-carbohydrazide?
N'-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-5-phenyl-1,2-oxazole-3-carbohydrazide has a molecular weight of 362.35 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-5-phenyl-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 86822821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).