ethyl (2R)-2-(4-chlorophenyl)-2-[4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetate

C21H22ClN5O3 — CID 39976998

IUPACethyl (2R)-2-(4-chlorophenyl)-2-[4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetate
SMILESCCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cnn3cccnc23)CC1
InChIInChI=1S/C21H22ClN5O3/c1-2-30-21(29)18(15-4-6-16(22)7-5-15)25-10-12-26(13-11-25)20(28)17-14-24-27-9-3-8-23-19(17)27/h3-9,14,18H,2,10-13H2,1H3/t18-/m1/s1
InChIKeyRIYSVGZPHALILP-GOSISDBHSA-N
MW427.89 g/mol
LogP2.44
Rot. Bonds5

About ethyl (2R)-2-(4-chlorophenyl)-2-[4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetate

ethyl (2R)-2-(4-chlorophenyl)-2-[4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetate (PubChem CID 39976998) has the molecular formula C21H22ClN5O3 and a molecular weight of 427.89 g/mol. Its IUPAC name is ethyl (2R)-2-(4-chlorophenyl)-2-[4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl (2R)-2-(4-chlorophenyl)-2-[4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetate
PubChem CID39976998
Molecular FormulaC21H22ClN5O3
Molecular Weight427.89 g/mol
Exact Mass427.14
IUPAC Nameethyl (2R)-2-(4-chlorophenyl)-2-[4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetate
SMILESCCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cnn3cccnc23)CC1
InChIInChI=1S/C21H22ClN5O3/c1-2-30-21(29)18(15-4-6-16(22)7-5-15)25-10-12-26(13-11-25)20(28)17-14-24-27-9-3-8-23-19(17)27/h3-9,14,18H,2,10-13H2,1H3/t18-/m1/s1
InChIKeyRIYSVGZPHALILP-GOSISDBHSA-N
XLogP2.44
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl (2R)-2-(4-chlorophenyl)-2-[4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetate with MolForge

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Related Compounds

ethyl 2-[4-[2-(2-amino-2-oxoethyl)sulfanylbenzoyl]piperazin-1-yl]-2-(4-chlorophenyl)acetate
CID 42925972
ethyl (2S)-2-(4-chlorophenyl)-2-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]acetate
CID 30886557
ethyl 2-[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate
CID 24560570
ethyl 2-(4-chlorophenyl)-2-[4-[2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]acetate
CID 24668308
ethyl (2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylacetate
CID 162420045
ethyl 2-(4-chlorophenyl)-2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]acetate
CID 24560558
ethyl (2R)-2-(4-chlorophenyl)-2-[4-(4-ethoxy-3-methoxybenzoyl)piperazin-1-yl]acetate
CID 51644690
ethyl 5-chloro-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzoate
CID 171682355
ethyl 2-(4-chlorophenyl)-2-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]acetate
CID 24560560
methyl 2-(4-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]acetate
CID 46431394
ethyl 2-(4-chlorophenyl)-2-[4-[3-(ethylsulfamoyl)benzoyl]piperazin-1-yl]acetate
CID 24560547
[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 97018374

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(4-chlorophenyl)-2-[4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetate?
The IUPAC name of ethyl (2R)-2-(4-chlorophenyl)-2-[4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetate (CID 39976998) is ethyl (2R)-2-(4-chlorophenyl)-2-[4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetate.
What is the SMILES notation for ethyl (2R)-2-(4-chlorophenyl)-2-[4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetate?
The canonical SMILES for ethyl (2R)-2-(4-chlorophenyl)-2-[4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetate is CCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cnn3cccnc23)CC1.
What is the InChIKey of ethyl (2R)-2-(4-chlorophenyl)-2-[4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetate?
The InChIKey is RIYSVGZPHALILP-GOSISDBHSA-N. The full InChI is InChI=1S/C21H22ClN5O3/c1-2-30-21(29)18(15-4-6-16(22)7-5-15)25-10-12-26(13-11-25)20(28)17-14-24-27-9-3-8-23-19(17)27/h3-9,14,18H,2,10-13H2,1H3/t18-/m1/s1.
What are the key properties of ethyl (2R)-2-(4-chlorophenyl)-2-[4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetate?
ethyl (2R)-2-(4-chlorophenyl)-2-[4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetate has a molecular weight of 427.89 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(4-chlorophenyl)-2-[4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetate is sourced from PubChem (CID 39976998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).