methyl 5-(2-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate

C13H13N5O2 — CID 19916278

IUPACmethyl 5-(2-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCCn1nccc1-c1cc(C(=O)OC)n2nccc2n1
InChIInChI=1S/C13H13N5O2/c1-3-17-10(4-6-14-17)9-8-11(13(19)20-2)18-12(16-9)5-7-15-18/h4-8H,3H2,1-2H3
InChIKeyCCTOGWJZZWZJRU-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.40
Rot. Bonds3

About methyl 5-(2-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate

methyl 5-(2-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate (PubChem CID 19916278) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is methyl 5-(2-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
PubChem CID19916278
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Namemethyl 5-(2-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCCn1nccc1-c1cc(C(=O)OC)n2nccc2n1
InChIInChI=1S/C13H13N5O2/c1-3-17-10(4-6-14-17)9-8-11(13(19)20-2)18-12(16-9)5-7-15-18/h4-8H,3H2,1-2H3
InChIKeyCCTOGWJZZWZJRU-UHFFFAOYSA-N
XLogP1.40
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 114556482
methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 59764217
7-methoxycarbonylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 4-(aminomethyl)benzoate
CID 158478903
methyl 3-fluoro-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate;methyl 5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 160635776
5-propylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 63820617
methyl 5-chloropyrrolo[1,2-b]pyridazine-7-carboxylate
CID 175697846
5-(3,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 29091062
dimethyl pyrazolo[1,5-a]pyrimidine-5,7-dicarboxylate;methane;methyl 7-[(3-chloro-4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 158473485
1-[(2S)-2-[6-(2-ethylpyrazol-3-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 125006640
methyl 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 4767067
N-tert-butyl-2-(4-chlorophenyl)-6-(2-ethylpyrazol-3-yl)pyridine-4-carboxamide
CID 130298809
6-(2-ethylpyrazol-3-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716717

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate?
The IUPAC name of methyl 5-(2-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate (CID 19916278) is methyl 5-(2-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 5-(2-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 5-(2-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate is CCn1nccc1-c1cc(C(=O)OC)n2nccc2n1.
What is the InChIKey of methyl 5-(2-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate?
The InChIKey is CCTOGWJZZWZJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-3-17-10(4-6-14-17)9-8-11(13(19)20-2)18-12(16-9)5-7-15-18/h4-8H,3H2,1-2H3.
What are the key properties of methyl 5-(2-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate?
methyl 5-(2-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate has a molecular weight of 271.28 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate is sourced from PubChem (CID 19916278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).