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

C8H11N3O2 — CID 137174733

IUPACmethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)CCCN2
InChIInChI=1S/C8H11N3O2/c1-13-8(12)6-5-7-9-3-2-4-11(7)10-6/h5,9H,2-4H2,1H3
InChIKeyJJHZXHPLOPQXJO-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.49
Rot. Bonds1

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

methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 137174733) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID137174733
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Namemethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)CCCN2
InChIInChI=1S/C8H11N3O2/c1-13-8(12)6-5-7-9-3-2-4-11(7)10-6/h5,9H,2-4H2,1H3
InChIKeyJJHZXHPLOPQXJO-UHFFFAOYSA-N
XLogP0.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate with MolForge

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Related Compounds

methyl 3-amino-1-methyl-1H-pyrazole-5-carboxylate
CID 13248993
Ethyl 5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 2964195
5-Methyl-7-(pentafluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 2964196
7-(Difluoromethyl)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 2983756
5-Isopropyl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 3145959
Ethyl 5-methyl-7-(pentafluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 2981135
5-Methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 3133659
US10118930, Example 28
CID 137018551
methyl 5-amino-1-methyl-1H-pyrazole-3-carboxylate
CID 13324840
ethyl 5-amino-1-methyl-1H-pyrazole-3-carboxylate
CID 14877880
methyl 3-amino-1-methyl-1H-pyrazole-5-carboxylate hydrochloride
CID 66643934
ethyl 4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 135741928

Frequently Asked Questions

What is the IUPAC name of methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 137174733) is methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate is COC(=O)c1cc2n(n1)CCCN2.
What is the InChIKey of methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is JJHZXHPLOPQXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-13-8(12)6-5-7-9-3-2-4-11(7)10-6/h5,9H,2-4H2,1H3.
What are the key properties of methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate?
methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 181.19 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 137174733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).