2-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide

C14H14N6O2 — CID 86822894

IUPAC2-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide
SMILESCc1nn2cccnc2c1C(=O)NNC(=O)c1cccn1C
InChIInChI=1S/C14H14N6O2/c1-9-11(12-15-6-4-8-20(12)18-9)14(22)17-16-13(21)10-5-3-7-19(10)2/h3-8H,1-2H3,(H,16,21)(H,17,22)
InChIKeyCWQCGNIANASDSG-UHFFFAOYSA-N
MW298.31 g/mol
LogP0.45
Rot. Bonds2

About 2-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide

2-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide (PubChem CID 86822894) has the molecular formula C14H14N6O2 and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide
PubChem CID86822894
Molecular FormulaC14H14N6O2
Molecular Weight298.31 g/mol
Exact Mass298.12
IUPAC Name2-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide
SMILESCc1nn2cccnc2c1C(=O)NNC(=O)c1cccn1C
InChIInChI=1S/C14H14N6O2/c1-9-11(12-15-6-4-8-20(12)18-9)14(22)17-16-13(21)10-5-3-7-19(10)2/h3-8H,1-2H3,(H,16,21)(H,17,22)
InChIKeyCWQCGNIANASDSG-UHFFFAOYSA-N
XLogP0.45
TPSA93.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide?
The IUPAC name of 2-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide (CID 86822894) is 2-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide.
What is the SMILES notation for 2-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide?
The canonical SMILES for 2-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide is Cc1nn2cccnc2c1C(=O)NNC(=O)c1cccn1C.
What is the InChIKey of 2-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide?
The InChIKey is CWQCGNIANASDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2/c1-9-11(12-15-6-4-8-20(12)18-9)14(22)17-16-13(21)10-5-3-7-19(10)2/h3-8H,1-2H3,(H,16,21)(H,17,22).
What are the key properties of 2-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide?
2-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide has a molecular weight of 298.31 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide is sourced from PubChem (CID 86822894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).