7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidine

C10H12ClN3 — CID 83702760

IUPAC7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidine
SMILESCCCc1cc2nc(C)cc(Cl)n2n1
InChIInChI=1S/C10H12ClN3/c1-3-4-8-6-10-12-7(2)5-9(11)14(10)13-8/h5-6H,3-4H2,1-2H3
InChIKeyLYAGKOQKNXCNEC-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.64
Rot. Bonds2

About 7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidine

7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidine (PubChem CID 83702760) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidine
PubChem CID83702760
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidine
SMILESCCCc1cc2nc(C)cc(Cl)n2n1
InChIInChI=1S/C10H12ClN3/c1-3-4-8-6-10-12-7(2)5-9(11)14(10)13-8/h5-6H,3-4H2,1-2H3
InChIKeyLYAGKOQKNXCNEC-UHFFFAOYSA-N
XLogP2.64
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidine
CID 911195
Pyrazolo(1,5-a)pyrimidine, 3-chloro-5,7-dimethyl-
CID 206163
2,5,7-Trimethylpyrazolo[1,5-a]pyrimidine
CID 3611062
2,5-dimethyl-7,8-dihydro-6H-cyclopenta[e]pyrazolo[1,5-a]pyrimidine
CID 1477871
2-Chloro-5,7-dimethylpyrazolo [1,5-a]pyrimidine
CID 19380134
2,5-Dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 753093
5-Methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2821597
7-Chloro-2,5-dimethyl-(1,2,4)triazolo(1,5-a)pyrimidine
CID 15575744
2-(Tert-butyl)-3-chloro-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2821672
2-Ethyl-3,5,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 4568581
5-Tert-butyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2971734
7-Chloro-5-(propan-2-yl)-(1,2,4)triazolo(1,5-a)pyrimidine
CID 16767830

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidine (CID 83702760) is 7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidine is CCCc1cc2nc(C)cc(Cl)n2n1.
What is the InChIKey of 7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidine?
The InChIKey is LYAGKOQKNXCNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c1-3-4-8-6-10-12-7(2)5-9(11)14(10)13-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidine?
7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidine has a molecular weight of 209.68 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 83702760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).