3-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine

C18H14ClN5 — CID 6419783

IUPAC3-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESClc1ccc(-c2cnn3ccc(NCc4cccnc4)nc23)cc1
InChIInChI=1S/C18H14ClN5/c19-15-5-3-14(4-6-15)16-12-22-24-9-7-17(23-18(16)24)21-11-13-2-1-8-20-10-13/h1-10,12H,11H2,(H,21,23)
InChIKeyPWFYOSJVYMMFDP-UHFFFAOYSA-N
MW335.80 g/mol
LogP4.06
Rot. Bonds4

About 3-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine

3-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 6419783) has the molecular formula C18H14ClN5 and a molecular weight of 335.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID6419783
Molecular FormulaC18H14ClN5
Molecular Weight335.80 g/mol
Exact Mass335.09
IUPAC Name3-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESClc1ccc(-c2cnn3ccc(NCc4cccnc4)nc23)cc1
InChIInChI=1S/C18H14ClN5/c19-15-5-3-14(4-6-15)16-12-22-24-9-7-17(23-18(16)24)21-11-13-2-1-8-20-10-13/h1-10,12H,11H2,(H,21,23)
InChIKeyPWFYOSJVYMMFDP-UHFFFAOYSA-N
XLogP4.06
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 6419783) is 3-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine is Clc1ccc(-c2cnn3ccc(NCc4cccnc4)nc23)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is PWFYOSJVYMMFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5/c19-15-5-3-14(4-6-15)16-12-22-24-9-7-17(23-18(16)24)21-11-13-2-1-8-20-10-13/h1-10,12H,11H2,(H,21,23).
What are the key properties of 3-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
3-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 335.80 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 6419783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).