methyl 5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate;methyl 7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate;2H-pyrrol-3-amine

C22H24N8O4 — CID 157067400

IUPACmethyl 5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate;methyl 7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate;2H-pyrrol-3-amine
SMILESCOC(=O)c1cc(C)n2nccc2n1.COC(=O)c1cc(C)nc2ccnn12.NC1=CC=NC1
InChIInChI=1S/2C9H9N3O2.C4H6N2/c1-6-5-7(9(13)14-2)11-8-3-4-10-12(6)8;1-6-5-7(9(13)14-2)12-8(11-6)3-4-10-12;5-4-1-2-6-3-4/h2*3-5H,1-2H3;1-2H,3,5H2
InChIKeyACAOLMOAZRPUGX-UHFFFAOYSA-N
MW464.49 g/mol
LogP1.56
Rot. Bonds2

About methyl 5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate;methyl 7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate;2H-pyrrol-3-amine

methyl 5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate;methyl 7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate;2H-pyrrol-3-amine (PubChem CID 157067400) has the molecular formula C22H24N8O4 and a molecular weight of 464.49 g/mol. Its IUPAC name is methyl 5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate;methyl 7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate;2H-pyrrol-3-amine.

Molecular Properties

Compound Namemethyl 5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate;methyl 7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate;2H-pyrrol-3-amine
PubChem CID157067400
Molecular FormulaC22H24N8O4
Molecular Weight464.49 g/mol
Exact Mass464.19
IUPAC Namemethyl 5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate;methyl 7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate;2H-pyrrol-3-amine
SMILESCOC(=O)c1cc(C)n2nccc2n1.COC(=O)c1cc(C)nc2ccnn12.NC1=CC=NC1
InChIInChI=1S/2C9H9N3O2.C4H6N2/c1-6-5-7(9(13)14-2)11-8-3-4-10-12(6)8;1-6-5-7(9(13)14-2)12-8(11-6)3-4-10-12;5-4-1-2-6-3-4/h2*3-5H,1-2H3;1-2H,3,5H2
InChIKeyACAOLMOAZRPUGX-UHFFFAOYSA-N
XLogP1.56
TPSA151.36 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.49
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate;methyl 7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate;2H-pyrrol-3-amine?
The IUPAC name of methyl 5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate;methyl 7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate;2H-pyrrol-3-amine (CID 157067400) is methyl 5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate;methyl 7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate;2H-pyrrol-3-amine.
What is the SMILES notation for methyl 5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate;methyl 7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate;2H-pyrrol-3-amine?
The canonical SMILES for methyl 5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate;methyl 7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate;2H-pyrrol-3-amine is COC(=O)c1cc(C)n2nccc2n1.COC(=O)c1cc(C)nc2ccnn12.NC1=CC=NC1.
What is the InChIKey of methyl 5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate;methyl 7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate;2H-pyrrol-3-amine?
The InChIKey is ACAOLMOAZRPUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H9N3O2.C4H6N2/c1-6-5-7(9(13)14-2)11-8-3-4-10-12(6)8;1-6-5-7(9(13)14-2)12-8(11-6)3-4-10-12;5-4-1-2-6-3-4/h2*3-5H,1-2H3;1-2H,3,5H2.
What are the key properties of methyl 5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate;methyl 7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate;2H-pyrrol-3-amine?
methyl 5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate;methyl 7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate;2H-pyrrol-3-amine has a molecular weight of 464.49 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate;methyl 7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate;2H-pyrrol-3-amine is sourced from PubChem (CID 157067400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).