N-(2-methylpropanoyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide

C11H13N5O2 — CID 121418872

IUPACN-(2-methylpropanoyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide
SMILESCC(C)C(=O)N(N)C(=O)c1cnn2cccnc12
InChIInChI=1S/C11H13N5O2/c1-7(2)10(17)16(12)11(18)8-6-14-15-5-3-4-13-9(8)15/h3-7H,12H2,1-2H3
InChIKeyLBAZBDRRUYIIPR-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.23
Rot. Bonds2

About N-(2-methylpropanoyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide

N-(2-methylpropanoyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide (PubChem CID 121418872) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is N-(2-methylpropanoyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide.

Molecular Properties

Compound NameN-(2-methylpropanoyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide
PubChem CID121418872
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC NameN-(2-methylpropanoyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide
SMILESCC(C)C(=O)N(N)C(=O)c1cnn2cccnc12
InChIInChI=1S/C11H13N5O2/c1-7(2)10(17)16(12)11(18)8-6-14-15-5-3-4-13-9(8)15/h3-7H,12H2,1-2H3
InChIKeyLBAZBDRRUYIIPR-UHFFFAOYSA-N
XLogP0.23
TPSA93.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

ethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
CID 91104664
N-(dimethylaminomethylidene)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 54497154
4-[methyl(pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid
CID 119135811
N-[(1R)-1-pyridin-2-ylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 39991149
N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 53184947
N-methyl-N-(2-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 47160097
[(2S)-2-propan-2-ylpyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 129369364
N-[4-(diethylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414447
N-(4-acetylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1256529
N-[1-(dipentylamino)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414546
N-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 94001412
N-[(1R)-1-(4-phenylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 52534736

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropanoyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide?
The IUPAC name of N-(2-methylpropanoyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide (CID 121418872) is N-(2-methylpropanoyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide.
What is the SMILES notation for N-(2-methylpropanoyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide?
The canonical SMILES for N-(2-methylpropanoyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide is CC(C)C(=O)N(N)C(=O)c1cnn2cccnc12.
What is the InChIKey of N-(2-methylpropanoyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide?
The InChIKey is LBAZBDRRUYIIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-7(2)10(17)16(12)11(18)8-6-14-15-5-3-4-13-9(8)15/h3-7H,12H2,1-2H3.
What are the key properties of N-(2-methylpropanoyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide?
N-(2-methylpropanoyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide has a molecular weight of 247.26 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropanoyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide is sourced from PubChem (CID 121418872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).