1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carboxylic acid

C15H17N7O2 — CID 70215490

IUPAC1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carboxylic acid
SMILESCn1cc(-c2cnn3c(N)cc(N4CCC(C(=O)O)C4)nc23)cn1
InChIInChI=1S/C15H17N7O2/c1-20-7-10(5-17-20)11-6-18-22-12(16)4-13(19-14(11)22)21-3-2-9(8-21)15(23)24/h4-7,9H,2-3,8,16H2,1H3,(H,23,24)
InChIKeyFBADDGNYYCWENP-UHFFFAOYSA-N
MW327.35 g/mol
LogP0.62
Rot. Bonds3

About 1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carboxylic acid

1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carboxylic acid (PubChem CID 70215490) has the molecular formula C15H17N7O2 and a molecular weight of 327.35 g/mol. Its IUPAC name is 1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carboxylic acid
PubChem CID70215490
Molecular FormulaC15H17N7O2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC Name1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carboxylic acid
SMILESCn1cc(-c2cnn3c(N)cc(N4CCC(C(=O)O)C4)nc23)cn1
InChIInChI=1S/C15H17N7O2/c1-20-7-10(5-17-20)11-6-18-22-12(16)4-13(19-14(11)22)21-3-2-9(8-21)15(23)24/h4-7,9H,2-3,8,16H2,1H3,(H,23,24)
InChIKeyFBADDGNYYCWENP-UHFFFAOYSA-N
XLogP0.62
TPSA114.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carboxylic acid (CID 70215490) is 1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carboxylic acid is Cn1cc(-c2cnn3c(N)cc(N4CCC(C(=O)O)C4)nc23)cn1.
What is the InChIKey of 1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carboxylic acid?
The InChIKey is FBADDGNYYCWENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O2/c1-20-7-10(5-17-20)11-6-18-22-12(16)4-13(19-14(11)22)21-3-2-9(8-21)15(23)24/h4-7,9H,2-3,8,16H2,1H3,(H,23,24).
What are the key properties of 1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carboxylic acid?
1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carboxylic acid has a molecular weight of 327.35 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 70215490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).