2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid

C13H16ClN3O2 — CID 141303473

IUPAC2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
SMILESCc1nc2cc(C(C)(C)C)nn2c(Cl)c1CC(=O)O
InChIInChI=1S/C13H16ClN3O2/c1-7-8(5-11(18)19)12(14)17-10(15-7)6-9(16-17)13(2,3)4/h6H,5H2,1-4H3,(H,18,19)
InChIKeyFOCMTCHXVXFDQV-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.62
Rot. Bonds2

About 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid

2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid (PubChem CID 141303473) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
PubChem CID141303473
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
SMILESCc1nc2cc(C(C)(C)C)nn2c(Cl)c1CC(=O)O
InChIInChI=1S/C13H16ClN3O2/c1-7-8(5-11(18)19)12(14)17-10(15-7)6-9(16-17)13(2,3)4/h6H,5H2,1-4H3,(H,18,19)
InChIKeyFOCMTCHXVXFDQV-UHFFFAOYSA-N
XLogP2.62
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5,7-Trimethyl-pyrazolo[1,5-a]pyrimidin-6-yl)-acetic acid ethyl ester
CID 686785
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
Ethyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
CID 60139909
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-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
CID 86674707
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-propylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate
CID 86674714

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The IUPAC name of 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid (CID 141303473) is 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid.
What is the SMILES notation for 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The canonical SMILES for 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid is Cc1nc2cc(C(C)(C)C)nn2c(Cl)c1CC(=O)O.
What is the InChIKey of 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The InChIKey is FOCMTCHXVXFDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-7-8(5-11(18)19)12(14)17-10(15-7)6-9(16-17)13(2,3)4/h6H,5H2,1-4H3,(H,18,19).
What are the key properties of 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid has a molecular weight of 281.74 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid is sourced from PubChem (CID 141303473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).