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

C16H22ClN3O2 — CID 86674714

IUPACmethyl 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate
SMILESCCCc1cc2nc(C)c(C(CCC)C(=O)OC)c(Cl)n2n1
InChIInChI=1S/C16H22ClN3O2/c1-5-7-11-9-13-18-10(3)14(15(17)20(13)19-11)12(8-6-2)16(21)22-4/h9,12H,5-8H2,1-4H3
InChIKeyVVABMSDTZMVZCJ-UHFFFAOYSA-N
MW323.82 g/mol
LogP3.70
Rot. Bonds6

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

methyl 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate (PubChem CID 86674714) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is methyl 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate.

Molecular Properties

Compound Namemethyl 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate
PubChem CID86674714
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Namemethyl 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate
SMILESCCCc1cc2nc(C)c(C(CCC)C(=O)OC)c(Cl)n2n1
InChIInChI=1S/C16H22ClN3O2/c1-5-7-11-9-13-18-10(3)14(15(17)20(13)19-11)12(8-6-2)16(21)22-4/h9,12H,5-8H2,1-4H3
InChIKeyVVABMSDTZMVZCJ-UHFFFAOYSA-N
XLogP3.70
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 686785
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CID 1166350
CID 1166350
CID 86670274
CID 86670274
CID 86674723
CID 86674723
CID 146588949
CID 146588949
CID 19917831
CID 19917831
CID 22249832
CID 22249832
CID 59635523
CID 59635523
CID 60139909
CID 60139909
CID 67258557
CID 67258557
CID 71742099
CID 71742099
CID 86670270
CID 86670270

Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate?
The IUPAC name of methyl 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate (CID 86674714) is methyl 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate.
What is the SMILES notation for methyl 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate?
The canonical SMILES for methyl 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate is CCCc1cc2nc(C)c(C(CCC)C(=O)OC)c(Cl)n2n1.
What is the InChIKey of methyl 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate?
The InChIKey is VVABMSDTZMVZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-5-7-11-9-13-18-10(3)14(15(17)20(13)19-11)12(8-6-2)16(21)22-4/h9,12H,5-8H2,1-4H3.
What are the key properties of methyl 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate?
methyl 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate has a molecular weight of 323.82 g/mol, XLogP of 3.70, 6 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-propylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate is sourced from PubChem (CID 86674714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).