methyl 3-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate

C11H10ClN3O2 — CID 25247710

IUPACmethyl 3-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(C2CC2)nc2c(Cl)cnn12
InChIInChI=1S/C11H10ClN3O2/c1-17-11(16)9-4-8(6-2-3-6)14-10-7(12)5-13-15(9)10/h4-6H,2-3H2,1H3
InChIKeyXXCOLHSOASQBDR-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.05
Rot. Bonds2

About methyl 3-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate

methyl 3-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate (PubChem CID 25247710) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is methyl 3-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate
PubChem CID25247710
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Namemethyl 3-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(C2CC2)nc2c(Cl)cnn12
InChIInChI=1S/C11H10ClN3O2/c1-17-11(16)9-4-8(6-2-3-6)14-10-7(12)5-13-15(9)10/h4-6H,2-3H2,1H3
InChIKeyXXCOLHSOASQBDR-UHFFFAOYSA-N
XLogP2.05
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The IUPAC name of methyl 3-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate (CID 25247710) is methyl 3-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 3-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 3-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate is COC(=O)c1cc(C2CC2)nc2c(Cl)cnn12.
What is the InChIKey of methyl 3-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The InChIKey is XXCOLHSOASQBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-17-11(16)9-4-8(6-2-3-6)14-10-7(12)5-13-15(9)10/h4-6H,2-3H2,1H3.
What are the key properties of methyl 3-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
methyl 3-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate has a molecular weight of 251.67 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate is sourced from PubChem (CID 25247710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).