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

C12H14ClN3O2 — CID 141303476

IUPAC2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
SMILESCCCc1cc2nc(C)c(CC(=O)O)c(Cl)n2n1
InChIInChI=1S/C12H14ClN3O2/c1-3-4-8-5-10-14-7(2)9(6-11(17)18)12(13)16(10)15-8/h5H,3-4,6H2,1-2H3,(H,17,18)
InChIKeyUUPGDZIDBUQCMB-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.27
Rot. Bonds4

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

2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid (PubChem CID 141303476) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
PubChem CID141303476
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
SMILESCCCc1cc2nc(C)c(CC(=O)O)c(Cl)n2n1
InChIInChI=1S/C12H14ClN3O2/c1-3-4-8-5-10-14-7(2)9(6-11(17)18)12(13)16(10)15-8/h5H,3-4,6H2,1-2H3,(H,17,18)
InChIKeyUUPGDZIDBUQCMB-UHFFFAOYSA-N
XLogP2.27
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 52.27
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
3-{2,5,7-Trimethylpyrazolo[1,5-a]pyrimidin-6-yl}propanoic acid
CID 4962359
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 3-(7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)propanoate
CID 19917831
Ethyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
CID 60139909
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-(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

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The IUPAC name of 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid (CID 141303476) is 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid.
What is the SMILES notation for 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The canonical SMILES for 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid is CCCc1cc2nc(C)c(CC(=O)O)c(Cl)n2n1.
What is the InChIKey of 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The InChIKey is UUPGDZIDBUQCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-3-4-8-5-10-14-7(2)9(6-11(17)18)12(13)16(10)15-8/h5H,3-4,6H2,1-2H3,(H,17,18).
What are the key properties of 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid has a molecular weight of 267.72 g/mol, XLogP of 2.27, 4 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)acetic acid is sourced from PubChem (CID 141303476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).