5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;ethane

C9H13ClN4 — CID 142869999

IUPAC5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;ethane
SMILESCC.Cc1cnn2c(N)cc(Cl)nc12
InChIInChI=1S/C7H7ClN4.C2H6/c1-4-3-10-12-6(9)2-5(8)11-7(4)12;1-2/h2-3H,9H2,1H3;1-2H3
InChIKeyITQYDSXAIZNEGA-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.30
Rot. Bonds

About 5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;ethane

5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;ethane (PubChem CID 142869999) has the molecular formula C9H13ClN4 and a molecular weight of 212.68 g/mol. Its IUPAC name is 5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;ethane.

Molecular Properties

Compound Name5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;ethane
PubChem CID142869999
Molecular FormulaC9H13ClN4
Molecular Weight212.68 g/mol
Exact Mass212.08
IUPAC Name5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;ethane
SMILESCC.Cc1cnn2c(N)cc(Cl)nc12
InChIInChI=1S/C7H7ClN4.C2H6/c1-4-3-10-12-6(9)2-5(8)11-7(4)12;1-2/h2-3H,9H2,1H3;1-2H3
InChIKeyITQYDSXAIZNEGA-UHFFFAOYSA-N
XLogP2.30
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;ethane?
The IUPAC name of 5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;ethane (CID 142869999) is 5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;ethane.
What is the SMILES notation for 5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;ethane?
The canonical SMILES for 5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;ethane is CC.Cc1cnn2c(N)cc(Cl)nc12.
What is the InChIKey of 5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;ethane?
The InChIKey is ITQYDSXAIZNEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4.C2H6/c1-4-3-10-12-6(9)2-5(8)11-7(4)12;1-2/h2-3H,9H2,1H3;1-2H3.
What are the key properties of 5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;ethane?
5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;ethane has a molecular weight of 212.68 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;ethane is sourced from PubChem (CID 142869999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).