7-chloro-3,6-diethyl-5-methylpyrazolo[1,5-a]pyrimidine

C11H14ClN3 — CID 104621763

IUPAC7-chloro-3,6-diethyl-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCCc1c(C)nc2c(CC)cnn2c1Cl
InChIInChI=1S/C11H14ClN3/c1-4-8-6-13-15-10(12)9(5-2)7(3)14-11(8)15/h6H,4-5H2,1-3H3
InChIKeyCDPRQAZLSVBARB-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.82
Rot. Bonds2

About 7-chloro-3,6-diethyl-5-methylpyrazolo[1,5-a]pyrimidine

7-chloro-3,6-diethyl-5-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 104621763) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 7-chloro-3,6-diethyl-5-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-3,6-diethyl-5-methylpyrazolo[1,5-a]pyrimidine
PubChem CID104621763
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name7-chloro-3,6-diethyl-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCCc1c(C)nc2c(CC)cnn2c1Cl
InChIInChI=1S/C11H14ClN3/c1-4-8-6-13-15-10(12)9(5-2)7(3)14-11(8)15/h6H,4-5H2,1-3H3
InChIKeyCDPRQAZLSVBARB-UHFFFAOYSA-N
XLogP2.82
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3,6-diethyl-5-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-3,6-diethyl-5-methylpyrazolo[1,5-a]pyrimidine (CID 104621763) is 7-chloro-3,6-diethyl-5-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-3,6-diethyl-5-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-3,6-diethyl-5-methylpyrazolo[1,5-a]pyrimidine is CCc1c(C)nc2c(CC)cnn2c1Cl.
What is the InChIKey of 7-chloro-3,6-diethyl-5-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is CDPRQAZLSVBARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c1-4-8-6-13-15-10(12)9(5-2)7(3)14-11(8)15/h6H,4-5H2,1-3H3.
What are the key properties of 7-chloro-3,6-diethyl-5-methylpyrazolo[1,5-a]pyrimidine?
7-chloro-3,6-diethyl-5-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 223.71 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3,6-diethyl-5-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 104621763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).