7-chloro-5-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine

C9H10ClN3O — CID 63822442

IUPAC7-chloro-5-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCOCc1cc(Cl)n2nc(C)cc2n1
InChIInChI=1S/C9H10ClN3O/c1-6-3-9-11-7(5-14-2)4-8(10)13(9)12-6/h3-4H,5H2,1-2H3
InChIKeyMXLGOCWAXWMIOL-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.84
Rot. Bonds2

About 7-chloro-5-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine

7-chloro-5-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 63822442) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is 7-chloro-5-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine
PubChem CID63822442
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name7-chloro-5-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCOCc1cc(Cl)n2nc(C)cc2n1
InChIInChI=1S/C9H10ClN3O/c1-6-3-9-11-7(5-14-2)4-8(10)13(9)12-6/h3-4H,5H2,1-2H3
InChIKeyMXLGOCWAXWMIOL-UHFFFAOYSA-N
XLogP1.84
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine (CID 63822442) is 7-chloro-5-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine is COCc1cc(Cl)n2nc(C)cc2n1.
What is the InChIKey of 7-chloro-5-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is MXLGOCWAXWMIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O/c1-6-3-9-11-7(5-14-2)4-8(10)13(9)12-6/h3-4H,5H2,1-2H3.
What are the key properties of 7-chloro-5-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine?
7-chloro-5-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 211.65 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 63822442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).