5-chloro-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde

C8H6ClN3O — CID 130882197

IUPAC5-chloro-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESCc1nn2ccc(Cl)nc2c1C=O
InChIInChI=1S/C8H6ClN3O/c1-5-6(4-13)8-10-7(9)2-3-12(8)11-5/h2-4H,1H3
InChIKeyJDVFIAPSNITIIO-UHFFFAOYSA-N
MW195.61 g/mol
LogP1.50
Rot. Bonds1

About 5-chloro-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde

5-chloro-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde (PubChem CID 130882197) has the molecular formula C8H6ClN3O and a molecular weight of 195.61 g/mol. Its IUPAC name is 5-chloro-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name5-chloro-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
PubChem CID130882197
Molecular FormulaC8H6ClN3O
Molecular Weight195.61 g/mol
Exact Mass195.02
IUPAC Name5-chloro-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESCc1nn2ccc(Cl)nc2c1C=O
InChIInChI=1S/C8H6ClN3O/c1-5-6(4-13)8-10-7(9)2-3-12(8)11-5/h2-4H,1H3
InChIKeyJDVFIAPSNITIIO-UHFFFAOYSA-N
XLogP1.50
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-chloro-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde 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-chloro-7-(cyclopropylamino)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 58314740
5-chloropyrazolo[1,5-a]pyrimidine-2-carbaldehyde
CID 130047056
5-chlorotriazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 105451807
5-(azepan-1-yl)-2-methylpyrazolo[1,5-a]quinazoline-3-carbaldehyde
CID 2314079
5-chloro-1-(2,6-dimethylphenyl)-3-methylpyrazole-4-carbaldehyde
CID 82296761
7-methoxy-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 105444740
1-(6-chloro-2-pyridinyl)-3-methylpyrazole-4-carbaldehyde
CID 170175407
1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazole-4-carbaldehyde
CID 134439833
5-(4-chloro-3-methylphenoxy)-1,3-dimethylpyrazole-4-carbaldehyde
CID 28951562
8-chloro-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine;ethane
CID 142337568
1-tert-butyl-3,5-dimethylpyrazole-4-carbaldehyde
CID 2776936
5-chloro-1,3-dimethylindazole-4-carbaldehyde
CID 117109564

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 5-chloro-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde (CID 130882197) is 5-chloro-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 5-chloro-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 5-chloro-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde is Cc1nn2ccc(Cl)nc2c1C=O.
What is the InChIKey of 5-chloro-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The InChIKey is JDVFIAPSNITIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O/c1-5-6(4-13)8-10-7(9)2-3-12(8)11-5/h2-4H,1H3.
What are the key properties of 5-chloro-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
5-chloro-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde has a molecular weight of 195.61 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 130882197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).