methyl 6-chloro-5-cyclopropyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate

C12H12ClN3O2 — CID 19916140

IUPACmethyl 6-chloro-5-cyclopropyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1c(Cl)c(C2CC2)nc2cc(C)nn12
InChIInChI=1S/C12H12ClN3O2/c1-6-5-8-14-10(7-3-4-7)9(13)11(12(17)18-2)16(8)15-6/h5,7H,3-4H2,1-2H3
InChIKeySQDFOYJIAYBQOK-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.36
Rot. Bonds2

About methyl 6-chloro-5-cyclopropyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate

methyl 6-chloro-5-cyclopropyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate (PubChem CID 19916140) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is methyl 6-chloro-5-cyclopropyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-5-cyclopropyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate
PubChem CID19916140
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Namemethyl 6-chloro-5-cyclopropyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1c(Cl)c(C2CC2)nc2cc(C)nn12
InChIInChI=1S/C12H12ClN3O2/c1-6-5-8-14-10(7-3-4-7)9(13)11(12(17)18-2)16(8)15-6/h5,7H,3-4H2,1-2H3
InChIKeySQDFOYJIAYBQOK-UHFFFAOYSA-N
XLogP2.36
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-5-cyclopropyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The IUPAC name of methyl 6-chloro-5-cyclopropyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate (CID 19916140) is methyl 6-chloro-5-cyclopropyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 6-chloro-5-cyclopropyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 6-chloro-5-cyclopropyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate is COC(=O)c1c(Cl)c(C2CC2)nc2cc(C)nn12.
What is the InChIKey of methyl 6-chloro-5-cyclopropyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The InChIKey is SQDFOYJIAYBQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-6-5-8-14-10(7-3-4-7)9(13)11(12(17)18-2)16(8)15-6/h5,7H,3-4H2,1-2H3.
What are the key properties of methyl 6-chloro-5-cyclopropyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
methyl 6-chloro-5-cyclopropyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate has a molecular weight of 265.70 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-5-cyclopropyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate is sourced from PubChem (CID 19916140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).