methyl 5-methyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxylate

C13H15N3O2 — CID 3242827

IUPACmethyl 5-methyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxylate
SMILESCOC(=O)c1cnn2c3c(c(C)nc12)CCCC3
InChIInChI=1S/C13H15N3O2/c1-8-9-5-3-4-6-11(9)16-12(15-8)10(7-14-16)13(17)18-2/h7H,3-6H2,1-2H3
InChIKeyDIGJECUKBPDWOR-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.70
Rot. Bonds1

About methyl 5-methyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxylate

methyl 5-methyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxylate (PubChem CID 3242827) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl 5-methyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxylate
PubChem CID3242827
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Namemethyl 5-methyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxylate
SMILESCOC(=O)c1cnn2c3c(c(C)nc12)CCCC3
InChIInChI=1S/C13H15N3O2/c1-8-9-5-3-4-6-11(9)16-12(15-8)10(7-14-16)13(17)18-2/h7H,3-6H2,1-2H3
InChIKeyDIGJECUKBPDWOR-UHFFFAOYSA-N
XLogP1.70
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxylate?
The IUPAC name of methyl 5-methyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxylate (CID 3242827) is methyl 5-methyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxylate.
What is the SMILES notation for methyl 5-methyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxylate?
The canonical SMILES for methyl 5-methyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxylate is COC(=O)c1cnn2c3c(c(C)nc12)CCCC3.
What is the InChIKey of methyl 5-methyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxylate?
The InChIKey is DIGJECUKBPDWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-9-5-3-4-6-11(9)16-12(15-8)10(7-14-16)13(17)18-2/h7H,3-6H2,1-2H3.
What are the key properties of methyl 5-methyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxylate?
methyl 5-methyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxylate is sourced from PubChem (CID 3242827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).