2-methylpropyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate

C11H12ClN3O2 — CID 155324362

IUPAC2-methylpropyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCC(C)COC(=O)c1cnn2ccc(Cl)nc12
InChIInChI=1S/C11H12ClN3O2/c1-7(2)6-17-11(16)8-5-13-15-4-3-9(12)14-10(8)15/h3-5,7H,6H2,1-2H3
InChIKeyNMSMRKLKCYKQRB-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.20
Rot. Bonds3

About 2-methylpropyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate

2-methylpropyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 155324362) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 2-methylpropyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID155324362
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name2-methylpropyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCC(C)COC(=O)c1cnn2ccc(Cl)nc12
InChIInChI=1S/C11H12ClN3O2/c1-7(2)6-17-11(16)8-5-13-15-4-3-9(12)14-10(8)15/h3-5,7H,6H2,1-2H3
InChIKeyNMSMRKLKCYKQRB-UHFFFAOYSA-N
XLogP2.20
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-[(2R)-2-aminopropoxy]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 155425580
2-O-(2-chloropropyl) 1-O-(2-methylpropyl) benzene-1,2-dicarboxylate
CID 91720151
methyl 4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-3,4-dihydroxybutanoate
CID 171895831
acetylene;ethyl 5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 142589568
ethyl 5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 122672896
5-chloro-N-(5-methyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 91147004
4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)but-3-enamide
CID 170798122
2-methylpropyl 1-carbamoylpyrrolo[3,2-c]pyridine-7-carboxylate
CID 91304632
ethyl 5-[(5-fluoro-2-methoxy-3-pyridinyl)methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 118265551
bis(2-methylpropyl) 4,5-dibromobenzene-1,2-dicarboxylate
CID 23502142
lithium;2-cyclopentyl-1,4-difluorobenzene;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydroxide
CID 157257466
(1R)-1-(2,6-dichloro-3-fluorophenyl)ethanol;5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)pyrazolo[1,5-a]pyrimidine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 165055666

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of 2-methylpropyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 155324362) is 2-methylpropyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for 2-methylpropyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for 2-methylpropyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate is CC(C)COC(=O)c1cnn2ccc(Cl)nc12.
What is the InChIKey of 2-methylpropyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is NMSMRKLKCYKQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-7(2)6-17-11(16)8-5-13-15-4-3-9(12)14-10(8)15/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-methylpropyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate?
2-methylpropyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 253.69 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 155324362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).