7-chloro-5-[cyclopropyl(methoxy)methyl]pyrazolo[1,5-a]pyrimidine

C11H12ClN3O — CID 170418280

IUPAC7-chloro-5-[cyclopropyl(methoxy)methyl]pyrazolo[1,5-a]pyrimidine
SMILESCOC(c1cc(Cl)n2nccc2n1)C1CC1
InChIInChI=1S/C11H12ClN3O/c1-16-11(7-2-3-7)8-6-9(12)15-10(14-8)4-5-13-15/h4-7,11H,2-3H2,1H3
InChIKeyAWFXVIIUZZBYIH-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.48
Rot. Bonds3

About 7-chloro-5-[cyclopropyl(methoxy)methyl]pyrazolo[1,5-a]pyrimidine

7-chloro-5-[cyclopropyl(methoxy)methyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 170418280) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 7-chloro-5-[cyclopropyl(methoxy)methyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-[cyclopropyl(methoxy)methyl]pyrazolo[1,5-a]pyrimidine
PubChem CID170418280
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name7-chloro-5-[cyclopropyl(methoxy)methyl]pyrazolo[1,5-a]pyrimidine
SMILESCOC(c1cc(Cl)n2nccc2n1)C1CC1
InChIInChI=1S/C11H12ClN3O/c1-16-11(7-2-3-7)8-6-9(12)15-10(14-8)4-5-13-15/h4-7,11H,2-3H2,1H3
InChIKeyAWFXVIIUZZBYIH-UHFFFAOYSA-N
XLogP2.48
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-[cyclopropyl(methoxy)methyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-[cyclopropyl(methoxy)methyl]pyrazolo[1,5-a]pyrimidine (CID 170418280) is 7-chloro-5-[cyclopropyl(methoxy)methyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-[cyclopropyl(methoxy)methyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-[cyclopropyl(methoxy)methyl]pyrazolo[1,5-a]pyrimidine is COC(c1cc(Cl)n2nccc2n1)C1CC1.
What is the InChIKey of 7-chloro-5-[cyclopropyl(methoxy)methyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is AWFXVIIUZZBYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-16-11(7-2-3-7)8-6-9(12)15-10(14-8)4-5-13-15/h4-7,11H,2-3H2,1H3.
What are the key properties of 7-chloro-5-[cyclopropyl(methoxy)methyl]pyrazolo[1,5-a]pyrimidine?
7-chloro-5-[cyclopropyl(methoxy)methyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 237.69 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-[cyclopropyl(methoxy)methyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 170418280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).