3-chloro-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine

C11H7ClN4 — CID 12766261

IUPAC3-chloro-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine
SMILESClc1cnn2c(-c3ccccn3)ccnc12
InChIInChI=1S/C11H7ClN4/c12-8-7-15-16-10(4-6-14-11(8)16)9-3-1-2-5-13-9/h1-7H
InChIKeyNQBHMNJORDBEMX-UHFFFAOYSA-N
MW230.66 g/mol
LogP2.44
Rot. Bonds1

About 3-chloro-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine

3-chloro-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 12766261) has the molecular formula C11H7ClN4 and a molecular weight of 230.66 g/mol. Its IUPAC name is 3-chloro-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-chloro-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID12766261
Molecular FormulaC11H7ClN4
Molecular Weight230.66 g/mol
Exact Mass230.04
IUPAC Name3-chloro-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine
SMILESClc1cnn2c(-c3ccccn3)ccnc12
InChIInChI=1S/C11H7ClN4/c12-8-7-15-16-10(4-6-14-11(8)16)9-3-1-2-5-13-9/h1-7H
InChIKeyNQBHMNJORDBEMX-UHFFFAOYSA-N
XLogP2.44
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-chloro-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine (CID 12766261) is 3-chloro-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-chloro-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-chloro-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine is Clc1cnn2c(-c3ccccn3)ccnc12.
What is the InChIKey of 3-chloro-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is NQBHMNJORDBEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4/c12-8-7-15-16-10(4-6-14-11(8)16)9-3-1-2-5-13-9/h1-7H.
What are the key properties of 3-chloro-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine?
3-chloro-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 230.66 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 12766261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).