5-chloropyrazolo[1,5-a]pyrimidin-3-amine

C6H5ClN4 — CID 57415829

IUPAC5-chloropyrazolo[1,5-a]pyrimidin-3-amine
SMILESNc1cnn2ccc(Cl)nc12
InChIInChI=1S/C6H5ClN4/c7-5-1-2-11-6(10-5)4(8)3-9-11/h1-3H,8H2
InChIKeyNIJQUMQRKQSUCF-UHFFFAOYSA-N
MW168.59 g/mol
LogP0.96
Rot. Bonds

About 5-chloropyrazolo[1,5-a]pyrimidin-3-amine

5-chloropyrazolo[1,5-a]pyrimidin-3-amine (PubChem CID 57415829) has the molecular formula C6H5ClN4 and a molecular weight of 168.59 g/mol. Its IUPAC name is 5-chloropyrazolo[1,5-a]pyrimidin-3-amine.

Molecular Properties

Compound Name5-chloropyrazolo[1,5-a]pyrimidin-3-amine
PubChem CID57415829
Molecular FormulaC6H5ClN4
Molecular Weight168.59 g/mol
Exact Mass168.02
IUPAC Name5-chloropyrazolo[1,5-a]pyrimidin-3-amine
SMILESNc1cnn2ccc(Cl)nc12
InChIInChI=1S/C6H5ClN4/c7-5-1-2-11-6(10-5)4(8)3-9-11/h1-3H,8H2
InChIKeyNIJQUMQRKQSUCF-UHFFFAOYSA-N
XLogP0.96
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.59
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloropyrazolo[1,5-a]pyrimidin-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

5,7-Dichloropyrazolo[1,5-a]pyrimidine
CID 11074154
1-methyl-1H-pyrazolo(3,4-b)pyrazine
CID 59421494
7-Chloropyrazolo[1,5-a]pyrimidine
CID 12281647
7-Aminopyrazolo(1,5-a)pyrimidine
CID 15379137
5-Chloropyrazolo(1,5-a)pyrimidine
CID 21071759
Pyrazolo(1,5-a)pyrimidin-6-amine
CID 25247836
Pyrazolo[1,5-a]pyrimidin-2-amine
CID 45602167
Pyrazolo[1,5-a]pyrimidin-5-amine
CID 55285819
5-Chloro-3-nitropyrazolo[1,5-a]pyrimidine
CID 72207283
1-Methyl-6-(trichloromethyl)pyrazolo[3,4-b]pyrazin-3-amine
CID 296470
Pyrazolo[1,5-a]pyrimidin-3-amine
CID 21192071
5-N,5-N-dimethylpyrazolo[1,5-a]pyrimidine-3,5-diamine
CID 58611206

Frequently Asked Questions

What is the IUPAC name of 5-chloropyrazolo[1,5-a]pyrimidin-3-amine?
The IUPAC name of 5-chloropyrazolo[1,5-a]pyrimidin-3-amine (CID 57415829) is 5-chloropyrazolo[1,5-a]pyrimidin-3-amine.
What is the SMILES notation for 5-chloropyrazolo[1,5-a]pyrimidin-3-amine?
The canonical SMILES for 5-chloropyrazolo[1,5-a]pyrimidin-3-amine is Nc1cnn2ccc(Cl)nc12.
What is the InChIKey of 5-chloropyrazolo[1,5-a]pyrimidin-3-amine?
The InChIKey is NIJQUMQRKQSUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN4/c7-5-1-2-11-6(10-5)4(8)3-9-11/h1-3H,8H2.
What are the key properties of 5-chloropyrazolo[1,5-a]pyrimidin-3-amine?
5-chloropyrazolo[1,5-a]pyrimidin-3-amine has a molecular weight of 168.59 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloropyrazolo[1,5-a]pyrimidin-3-amine is sourced from PubChem (CID 57415829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).