ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate

C9H13N3O2 — CID 135741928

IUPACethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc2n(n1)CCCN2
InChIInChI=1S/C9H13N3O2/c1-2-14-9(13)7-6-8-10-4-3-5-12(8)11-7/h6,10H,2-5H2,1H3
InChIKeyKXZOQAZSLXZMRC-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.88
Rot. Bonds2

About ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate

ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 135741928) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID135741928
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Nameethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc2n(n1)CCCN2
InChIInChI=1S/C9H13N3O2/c1-2-14-9(13)7-6-8-10-4-3-5-12(8)11-7/h6,10H,2-5H2,1H3
InChIKeyKXZOQAZSLXZMRC-UHFFFAOYSA-N
XLogP0.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 136556805
ethyl 7-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 136775821
ethyl 7-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 136775820
ethyl prop-2-ynoate;ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate
CID 158291247
ethyl 1,8,12-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene-11-carboxylate
CID 136775815
ethyl 7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 136933776
ethyl 5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 176717659
ethyl 5,6-dihydropyrazolo[1,5-c]quinazoline-2-carboxylate
CID 135536636
ethyl 6-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylate
CID 25067318
5-O-tert-butyl 2-O-ethyl 4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2,5-dicarboxylate
CID 124518597
ethyl 5-(cyclopropylmethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 58465837
5-O-tert-butyl 2-O-ethyl 4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2,5-dicarboxylate
CID 131696389

Frequently Asked Questions

What is the IUPAC name of ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 135741928) is ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate is CCOC(=O)c1cc2n(n1)CCCN2.
What is the InChIKey of ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is KXZOQAZSLXZMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-2-14-9(13)7-6-8-10-4-3-5-12(8)11-7/h6,10H,2-5H2,1H3.
What are the key properties of ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate?
ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 195.22 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 135741928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).