2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoic acid

C15H20ClN3O2 — CID 141303486

IUPAC2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoic acid
SMILESCCCc1cc2nc(C)c(C(CCC)C(=O)O)c(Cl)n2n1
InChIInChI=1S/C15H20ClN3O2/c1-4-6-10-8-12-17-9(3)13(14(16)19(12)18-10)11(7-5-2)15(20)21/h8,11H,4-7H2,1-3H3,(H,20,21)
InChIKeyIYLDBZMYYSYSJE-UHFFFAOYSA-N
MW309.80 g/mol
LogP3.61
Rot. Bonds6

About 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoic acid

2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoic acid (PubChem CID 141303486) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoic acid.

Molecular Properties

Compound Name2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoic acid
PubChem CID141303486
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoic acid
SMILESCCCc1cc2nc(C)c(C(CCC)C(=O)O)c(Cl)n2n1
InChIInChI=1S/C15H20ClN3O2/c1-4-6-10-8-12-17-9(3)13(14(16)19(12)18-10)11(7-5-2)15(20)21/h8,11H,4-7H2,1-3H3,(H,20,21)
InChIKeyIYLDBZMYYSYSJE-UHFFFAOYSA-N
XLogP3.61
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-6,6,6-trifluorohexanoate
CID 86674723
2-[5,7-Dimethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
CID 82269745
2-[7-Chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid
CID 82271653
Methyl 2-(7-chloro-5-methyl-2-phenylpyrazolo[1,5-A]pyrimidin-6-YL)acetate
CID 71742099
Methyl 2-(2-bromo-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
CID 86670270
Methyl 2-(3,7-dichloro-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
CID 86670281
Methyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
CID 86674708
Methyl 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
CID 86674709
Methyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate
CID 86674712
Methyl 2-(7-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate
CID 86674713
Methyl 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate
CID 86674714
Ethyl 2-(3-bromo-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate
CID 86674716

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoic acid?
The IUPAC name of 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoic acid (CID 141303486) is 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoic acid.
What is the SMILES notation for 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoic acid?
The canonical SMILES for 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoic acid is CCCc1cc2nc(C)c(C(CCC)C(=O)O)c(Cl)n2n1.
What is the InChIKey of 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoic acid?
The InChIKey is IYLDBZMYYSYSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-4-6-10-8-12-17-9(3)13(14(16)19(12)18-10)11(7-5-2)15(20)21/h8,11H,4-7H2,1-3H3,(H,20,21).
What are the key properties of 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoic acid?
2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoic acid has a molecular weight of 309.80 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoic acid is sourced from PubChem (CID 141303486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).