7-chloro-3-ethyl-5,6-dimethylpyrazolo[1,5-a]pyrimidine

C10H12ClN3 — CID 82274393

IUPAC7-chloro-3-ethyl-5,6-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCCc1cnn2c(Cl)c(C)c(C)nc12
InChIInChI=1S/C10H12ClN3/c1-4-8-5-12-14-9(11)6(2)7(3)13-10(8)14/h5H,4H2,1-3H3
InChIKeyNTCPLMJOVNFIMG-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.56
Rot. Bonds1

About 7-chloro-3-ethyl-5,6-dimethylpyrazolo[1,5-a]pyrimidine

7-chloro-3-ethyl-5,6-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 82274393) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 7-chloro-3-ethyl-5,6-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-ethyl-5,6-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID82274393
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name7-chloro-3-ethyl-5,6-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCCc1cnn2c(Cl)c(C)c(C)nc12
InChIInChI=1S/C10H12ClN3/c1-4-8-5-12-14-9(11)6(2)7(3)13-10(8)14/h5H,4H2,1-3H3
InChIKeyNTCPLMJOVNFIMG-UHFFFAOYSA-N
XLogP2.56
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-3,6-diethyl-5-methylpyrazolo[1,5-a]pyrimidine
CID 104621763
5,7-dichloro-3-ethyl-6-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 104621767
5-tert-butyl-7-chloro-3-ethylpyrazolo[1,5-a]pyrimidine
CID 22309031
3-ethyl-7-methylpyrazolo[1,5-a]pyrimidin-5-amine
CID 145164018
3-(3-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-2-methylpropanoic acid
CID 104617901
7-chloro-3-ethyl-5-thiophen-3-ylpyrazolo[1,5-a]pyrimidine
CID 22309024
3-ethyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 104619442
ethyl 7-chloro-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 82274224
7-chloro-6-ethyl-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine
CID 104621702
2-(3,5,7-triethylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
CID 113433510
5,7-dichloro-3-(4-chlorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine
CID 82274624
3-benzyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidine
CID 82274288

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-ethyl-5,6-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-3-ethyl-5,6-dimethylpyrazolo[1,5-a]pyrimidine (CID 82274393) is 7-chloro-3-ethyl-5,6-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-3-ethyl-5,6-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-3-ethyl-5,6-dimethylpyrazolo[1,5-a]pyrimidine is CCc1cnn2c(Cl)c(C)c(C)nc12.
What is the InChIKey of 7-chloro-3-ethyl-5,6-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is NTCPLMJOVNFIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c1-4-8-5-12-14-9(11)6(2)7(3)13-10(8)14/h5H,4H2,1-3H3.
What are the key properties of 7-chloro-3-ethyl-5,6-dimethylpyrazolo[1,5-a]pyrimidine?
7-chloro-3-ethyl-5,6-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 209.68 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-ethyl-5,6-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 82274393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).