1-(6-bromopyrazolo[1,5-a]pyrimidine-3-carbonyl)-5-methylpiperidine-3-carboxylic acid

C14H15BrN4O3 — CID 122117097

IUPAC1-(6-bromopyrazolo[1,5-a]pyrimidine-3-carbonyl)-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)c2cnn3cc(Br)cnc23)C1
InChIInChI=1S/C14H15BrN4O3/c1-8-2-9(14(21)22)6-18(5-8)13(20)11-4-17-19-7-10(15)3-16-12(11)19/h3-4,7-9H,2,5-6H2,1H3,(H,21,22)
InChIKeyIJRAXRJLSCEEHX-UHFFFAOYSA-N
MW367.20 g/mol
LogP1.67
Rot. Bonds2

About 1-(6-bromopyrazolo[1,5-a]pyrimidine-3-carbonyl)-5-methylpiperidine-3-carboxylic acid

1-(6-bromopyrazolo[1,5-a]pyrimidine-3-carbonyl)-5-methylpiperidine-3-carboxylic acid (PubChem CID 122117097) has the molecular formula C14H15BrN4O3 and a molecular weight of 367.20 g/mol. Its IUPAC name is 1-(6-bromopyrazolo[1,5-a]pyrimidine-3-carbonyl)-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-bromopyrazolo[1,5-a]pyrimidine-3-carbonyl)-5-methylpiperidine-3-carboxylic acid
PubChem CID122117097
Molecular FormulaC14H15BrN4O3
Molecular Weight367.20 g/mol
Exact Mass366.03
IUPAC Name1-(6-bromopyrazolo[1,5-a]pyrimidine-3-carbonyl)-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)c2cnn3cc(Br)cnc23)C1
InChIInChI=1S/C14H15BrN4O3/c1-8-2-9(14(21)22)6-18(5-8)13(20)11-4-17-19-7-10(15)3-16-12(11)19/h3-4,7-9H,2,5-6H2,1H3,(H,21,22)
InChIKeyIJRAXRJLSCEEHX-UHFFFAOYSA-N
XLogP1.67
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromopyrazolo[1,5-a]pyrimidine-3-carbonyl)-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(6-bromopyrazolo[1,5-a]pyrimidine-3-carbonyl)-5-methylpiperidine-3-carboxylic acid (CID 122117097) is 1-(6-bromopyrazolo[1,5-a]pyrimidine-3-carbonyl)-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-bromopyrazolo[1,5-a]pyrimidine-3-carbonyl)-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(6-bromopyrazolo[1,5-a]pyrimidine-3-carbonyl)-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)c2cnn3cc(Br)cnc23)C1.
What is the InChIKey of 1-(6-bromopyrazolo[1,5-a]pyrimidine-3-carbonyl)-5-methylpiperidine-3-carboxylic acid?
The InChIKey is IJRAXRJLSCEEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O3/c1-8-2-9(14(21)22)6-18(5-8)13(20)11-4-17-19-7-10(15)3-16-12(11)19/h3-4,7-9H,2,5-6H2,1H3,(H,21,22).
What are the key properties of 1-(6-bromopyrazolo[1,5-a]pyrimidine-3-carbonyl)-5-methylpiperidine-3-carboxylic acid?
1-(6-bromopyrazolo[1,5-a]pyrimidine-3-carbonyl)-5-methylpiperidine-3-carboxylic acid has a molecular weight of 367.20 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromopyrazolo[1,5-a]pyrimidine-3-carbonyl)-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122117097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).