methyl 3-formyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

C10H9N3O3 — CID 131292946

IUPACmethyl 3-formyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cnc2c(C=O)c(C)nn2c1
InChIInChI=1S/C10H9N3O3/c1-6-8(5-14)9-11-3-7(10(15)16-2)4-13(9)12-6/h3-5H,1-2H3
InChIKeyBVOYOHLYMGRQGY-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.64
Rot. Bonds2

About methyl 3-formyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

methyl 3-formyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 131292946) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is methyl 3-formyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-formyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID131292946
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Namemethyl 3-formyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cnc2c(C=O)c(C)nn2c1
InChIInChI=1S/C10H9N3O3/c1-6-8(5-14)9-11-3-7(10(15)16-2)4-13(9)12-6/h3-5H,1-2H3
InChIKeyBVOYOHLYMGRQGY-UHFFFAOYSA-N
XLogP0.64
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Pyrazophos
CID 26033
2,7-Dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 2736303
Ethyl 3-cyano-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 698967
Ethyl 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 2736420
6-Acetyl-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 2981519
Ethyl 7-amino-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 1089239
Ethyl 7-methyl-3-nitropyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 668032
2-Methylpyrazolo(1,5-a)pyrimidine-6-carboxylic acid
CID 23091947
2-Methylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde
CID 45792526
Ethyl 3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 744061
Ethyl 5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 903864
Ethyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 726545

Frequently Asked Questions

What is the IUPAC name of methyl 3-formyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of methyl 3-formyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 131292946) is methyl 3-formyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 3-formyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 3-formyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate is COC(=O)c1cnc2c(C=O)c(C)nn2c1.
What is the InChIKey of methyl 3-formyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is BVOYOHLYMGRQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-6-8(5-14)9-11-3-7(10(15)16-2)4-13(9)12-6/h3-5H,1-2H3.
What are the key properties of methyl 3-formyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
methyl 3-formyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 219.20 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-formyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 131292946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).