ethyl 4-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate

C22H27N5O3 — CID 4179581

IUPACethyl 4-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cc(C)nc3c(-c4ccccc4OC)c(C)nn23)CC1
InChIInChI=1S/C22H27N5O3/c1-5-30-22(28)26-12-10-25(11-13-26)19-14-15(2)23-21-20(16(3)24-27(19)21)17-8-6-7-9-18(17)29-4/h6-9,14H,5,10-13H2,1-4H3
InChIKeyYVCKPMSAYLNJJK-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.30
Rot. Bonds4

About ethyl 4-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate

ethyl 4-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate (PubChem CID 4179581) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is ethyl 4-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate
PubChem CID4179581
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Nameethyl 4-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cc(C)nc3c(-c4ccccc4OC)c(C)nn23)CC1
InChIInChI=1S/C22H27N5O3/c1-5-30-22(28)26-12-10-25(11-13-26)19-14-15(2)23-21-20(16(3)24-27(19)21)17-8-6-7-9-18(17)29-4/h6-9,14H,5,10-13H2,1-4H3
InChIKeyYVCKPMSAYLNJJK-UHFFFAOYSA-N
XLogP3.30
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-methoxyphenyl)-2,5-dimethyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 4871516
ethyl 5-amino-1-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]pyrazole-4-carboxylate
CID 4870913
1-[4-[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone
CID 16674762
ethyl 4-[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate
CID 46262804
7-imidazol-1-yl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 4898409
methyl 2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetate
CID 20967183
ethyl 4-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylate
CID 5309655
3-(2-methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine
CID 977660
7-[4-(4-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 20861586
N-benzyl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4183438
3-(2-methoxyphenyl)-2,5-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 4900741
6-ethyl-3-(2-methoxyphenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 137481226

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate (CID 4179581) is ethyl 4-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2cc(C)nc3c(-c4ccccc4OC)c(C)nn23)CC1.
What is the InChIKey of ethyl 4-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate?
The InChIKey is YVCKPMSAYLNJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-5-30-22(28)26-12-10-25(11-13-26)19-14-15(2)23-21-20(16(3)24-27(19)21)17-8-6-7-9-18(17)29-4/h6-9,14H,5,10-13H2,1-4H3.
What are the key properties of ethyl 4-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate?
ethyl 4-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate has a molecular weight of 409.49 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate is sourced from PubChem (CID 4179581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).