5-[7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid

C18H18ClN5O2 — CID 58173472

IUPAC5-[7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid
SMILESNc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3ccc(Cl)cc3)cnn12
InChIInChI=1S/C18H18ClN5O2/c19-12-4-1-10(2-5-12)13-9-22-24-16(20)7-15(23-17(13)24)11-3-6-14(18(25)26)21-8-11/h1-2,4-5,7,9,11,14,21H,3,6,8,20H2,(H,25,26)
InChIKeyZLGZRTJYQAHRGY-UHFFFAOYSA-N
MW371.83 g/mol
LogP2.55
Rot. Bonds3

About 5-[7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid

5-[7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid (PubChem CID 58173472) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is 5-[7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name5-[7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid
PubChem CID58173472
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC Name5-[7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid
SMILESNc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3ccc(Cl)cc3)cnn12
InChIInChI=1S/C18H18ClN5O2/c19-12-4-1-10(2-5-12)13-9-22-24-16(20)7-15(23-17(13)24)11-3-6-14(18(25)26)21-8-11/h1-2,4-5,7,9,11,14,21H,3,6,8,20H2,(H,25,26)
InChIKeyZLGZRTJYQAHRGY-UHFFFAOYSA-N
XLogP2.55
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid?
The IUPAC name of 5-[7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid (CID 58173472) is 5-[7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid.
What is the SMILES notation for 5-[7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid?
The canonical SMILES for 5-[7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid is Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3ccc(Cl)cc3)cnn12.
What is the InChIKey of 5-[7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid?
The InChIKey is ZLGZRTJYQAHRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c19-12-4-1-10(2-5-12)13-9-22-24-16(20)7-15(23-17(13)24)11-3-6-14(18(25)26)21-8-11/h1-2,4-5,7,9,11,14,21H,3,6,8,20H2,(H,25,26).
What are the key properties of 5-[7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid?
5-[7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid has a molecular weight of 371.83 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid is sourced from PubChem (CID 58173472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).