7-amino-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C13H8FN5 — CID 70686472

IUPAC7-amino-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(N)cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C13H8FN5/c14-10-3-1-8(2-4-10)11-5-12(16)19-13(18-11)9(6-15)7-17-19/h1-5,7H,16H2
InChIKeyMSGQJJJSDMXGKE-UHFFFAOYSA-N
MW253.24 g/mol
LogP1.99
Rot. Bonds1

About 7-amino-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-amino-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 70686472) has the molecular formula C13H8FN5 and a molecular weight of 253.24 g/mol. Its IUPAC name is 7-amino-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-amino-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID70686472
Molecular FormulaC13H8FN5
Molecular Weight253.24 g/mol
Exact Mass253.08
IUPAC Name7-amino-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(N)cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C13H8FN5/c14-10-3-1-8(2-4-10)11-5-12(16)19-13(18-11)9(6-15)7-17-19/h1-5,7H,16H2
InChIKeyMSGQJJJSDMXGKE-UHFFFAOYSA-N
XLogP1.99
TPSA80.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-amino-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile 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 7-amino-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-amino-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 70686472) is 7-amino-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-amino-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-amino-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1cnn2c(N)cc(-c3ccc(F)cc3)nc12.
What is the InChIKey of 7-amino-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is MSGQJJJSDMXGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN5/c14-10-3-1-8(2-4-10)11-5-12(16)19-13(18-11)9(6-15)7-17-19/h1-5,7H,16H2.
What are the key properties of 7-amino-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-amino-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 253.24 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 70686472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).