methyl 2-(7-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate

C16H14ClN3O2 — CID 71742099

IUPACmethyl 2-(7-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
SMILESCOC(=O)Cc1c(C)nc2cc(-c3ccccc3)nn2c1Cl
InChIInChI=1S/C16H14ClN3O2/c1-10-12(8-15(21)22-2)16(17)20-14(18-10)9-13(19-20)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
InChIKeyIIBYTDPCPGBVPV-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.07
Rot. Bonds3

About methyl 2-(7-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate

methyl 2-(7-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate (PubChem CID 71742099) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is methyl 2-(7-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(7-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
PubChem CID71742099
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Namemethyl 2-(7-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
SMILESCOC(=O)Cc1c(C)nc2cc(-c3ccccc3)nn2c1Cl
InChIInChI=1S/C16H14ClN3O2/c1-10-12(8-15(21)22-2)16(17)20-14(18-10)9-13(19-20)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
InChIKeyIIBYTDPCPGBVPV-UHFFFAOYSA-N
XLogP3.07
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The IUPAC name of methyl 2-(7-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate (CID 71742099) is methyl 2-(7-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate.
What is the SMILES notation for methyl 2-(7-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The canonical SMILES for methyl 2-(7-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate is COC(=O)Cc1c(C)nc2cc(-c3ccccc3)nn2c1Cl.
What is the InChIKey of methyl 2-(7-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The InChIKey is IIBYTDPCPGBVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c1-10-12(8-15(21)22-2)16(17)20-14(18-10)9-13(19-20)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3.
What are the key properties of methyl 2-(7-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
methyl 2-(7-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate has a molecular weight of 315.76 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate is sourced from PubChem (CID 71742099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).