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

C10H16N4O2 — CID 136837838

IUPACmethyl 7-(aminomethyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCOC(=O)c1c(C)nn2c1NCCC2CN
InChIInChI=1S/C10H16N4O2/c1-6-8(10(15)16-2)9-12-4-3-7(5-11)14(9)13-6/h7,12H,3-5,11H2,1-2H3
InChIKeyKMHBUZQKRSVOCJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.29
Rot. Bonds2

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

methyl 7-(aminomethyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 136837838) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 7-(aminomethyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-(aminomethyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID136837838
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Namemethyl 7-(aminomethyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCOC(=O)c1c(C)nn2c1NCCC2CN
InChIInChI=1S/C10H16N4O2/c1-6-8(10(15)16-2)9-12-4-3-7(5-11)14(9)13-6/h7,12H,3-5,11H2,1-2H3
InChIKeyKMHBUZQKRSVOCJ-UHFFFAOYSA-N
XLogP0.29
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 7-(aminomethyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of methyl 7-(aminomethyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 136837838) is methyl 7-(aminomethyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for methyl 7-(aminomethyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for methyl 7-(aminomethyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate is COC(=O)c1c(C)nn2c1NCCC2CN.
What is the InChIKey of methyl 7-(aminomethyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is KMHBUZQKRSVOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-6-8(10(15)16-2)9-12-4-3-7(5-11)14(9)13-6/h7,12H,3-5,11H2,1-2H3.
What are the key properties of methyl 7-(aminomethyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate?
methyl 7-(aminomethyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(aminomethyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 136837838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).