2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbohydrazide

C8H9N5O2 — CID 58763167

IUPAC2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbohydrazide
SMILESCc1cc2ncc(C(=O)NN)c(=O)n2[nH]1
InChIInChI=1S/C8H9N5O2/c1-4-2-6-10-3-5(7(14)11-9)8(15)13(6)12-4/h2-3,12H,9H2,1H3,(H,11,14)
InChIKeyGKDIMFCOLPPGTP-UHFFFAOYSA-N
MW207.19 g/mol
LogP-1.07
Rot. Bonds1

About 2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbohydrazide

2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbohydrazide (PubChem CID 58763167) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbohydrazide.

Molecular Properties

Compound Name2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbohydrazide
PubChem CID58763167
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbohydrazide
SMILESCc1cc2ncc(C(=O)NN)c(=O)n2[nH]1
InChIInChI=1S/C8H9N5O2/c1-4-2-6-10-3-5(7(14)11-9)8(15)13(6)12-4/h2-3,12H,9H2,1H3,(H,11,14)
InChIKeyGKDIMFCOLPPGTP-UHFFFAOYSA-N
XLogP-1.07
TPSA105.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbohydrazide?
The IUPAC name of 2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbohydrazide (CID 58763167) is 2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbohydrazide.
What is the SMILES notation for 2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbohydrazide?
The canonical SMILES for 2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbohydrazide is Cc1cc2ncc(C(=O)NN)c(=O)n2[nH]1.
What is the InChIKey of 2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbohydrazide?
The InChIKey is GKDIMFCOLPPGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c1-4-2-6-10-3-5(7(14)11-9)8(15)13(6)12-4/h2-3,12H,9H2,1H3,(H,11,14).
What are the key properties of 2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbohydrazide?
2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbohydrazide has a molecular weight of 207.19 g/mol, XLogP of -1.07, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbohydrazide is sourced from PubChem (CID 58763167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).