potassium 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate

C8H10KN3O2 — CID 136573101

IUPACpotassium 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCc1nn2c(c1C(=O)[O-])NCCC2.[K+]
InChIInChI=1S/C8H11N3O2.K/c1-5-6(8(12)13)7-9-3-2-4-11(7)10-5;/h9H,2-4H2,1H3,(H,12,13);/q;+1/p-1
InChIKeyBEKIAIVFXBDBRX-UHFFFAOYSA-M
MW219.28 g/mol
LogP-3.63
Rot. Bonds1

About potassium 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate

potassium 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 136573101) has the molecular formula C8H10KN3O2 and a molecular weight of 219.28 g/mol. Its IUPAC name is potassium 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Namepotassium 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID136573101
Molecular FormulaC8H10KN3O2
Molecular Weight219.28 g/mol
Exact Mass219.04
IUPAC Namepotassium 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCc1nn2c(c1C(=O)[O-])NCCC2.[K+]
InChIInChI=1S/C8H11N3O2.K/c1-5-6(8(12)13)7-9-3-2-4-11(7)10-5;/h9H,2-4H2,1H3,(H,12,13);/q;+1/p-1
InChIKeyBEKIAIVFXBDBRX-UHFFFAOYSA-M
XLogP-3.63
TPSA69.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-3.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of potassium 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of potassium 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 136573101) is potassium 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for potassium 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for potassium 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate is Cc1nn2c(c1C(=O)[O-])NCCC2.[K+].
What is the InChIKey of potassium 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is BEKIAIVFXBDBRX-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H11N3O2.K/c1-5-6(8(12)13)7-9-3-2-4-11(7)10-5;/h9H,2-4H2,1H3,(H,12,13);/q;+1/p-1.
What are the key properties of potassium 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate?
potassium 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 219.28 g/mol, XLogP of -3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 136573101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).