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

C19H20ClN3O2 — CID 86674713

IUPACmethyl 2-(7-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate
SMILESCCCC(C(=O)OC)c1c(C)nc2cc(-c3ccccc3)nn2c1Cl
InChIInChI=1S/C19H20ClN3O2/c1-4-8-14(19(24)25-3)17-12(2)21-16-11-15(22-23(16)18(17)20)13-9-6-5-7-10-13/h5-7,9-11,14H,4,8H2,1-3H3
InChIKeyQSSXWAHZLBEWKQ-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.41
Rot. Bonds5

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

methyl 2-(7-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate (PubChem CID 86674713) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is methyl 2-(7-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate.

Molecular Properties

Compound Namemethyl 2-(7-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate
PubChem CID86674713
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Namemethyl 2-(7-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate
SMILESCCCC(C(=O)OC)c1c(C)nc2cc(-c3ccccc3)nn2c1Cl
InChIInChI=1S/C19H20ClN3O2/c1-4-8-14(19(24)25-3)17-12(2)21-16-11-15(22-23(16)18(17)20)13-9-6-5-7-10-13/h5-7,9-11,14H,4,8H2,1-3H3
InChIKeyQSSXWAHZLBEWKQ-UHFFFAOYSA-N
XLogP4.41
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.41
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)pentanoate?
The IUPAC name of methyl 2-(7-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate (CID 86674713) is methyl 2-(7-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate.
What is the SMILES notation for methyl 2-(7-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate?
The canonical SMILES for methyl 2-(7-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate is CCCC(C(=O)OC)c1c(C)nc2cc(-c3ccccc3)nn2c1Cl.
What is the InChIKey of methyl 2-(7-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate?
The InChIKey is QSSXWAHZLBEWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-4-8-14(19(24)25-3)17-12(2)21-16-11-15(22-23(16)18(17)20)13-9-6-5-7-10-13/h5-7,9-11,14H,4,8H2,1-3H3.
What are the key properties of methyl 2-(7-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate?
methyl 2-(7-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate has a molecular weight of 357.84 g/mol, XLogP of 4.41, 5 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)pentanoate is sourced from PubChem (CID 86674713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).