ethyl 5,7-dimethyl-6-(3-phenylprop-2-enyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

C20H21N3O2 — CID 1480603

IUPACethyl 5,7-dimethyl-6-(3-phenylprop-2-enyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(C)c(CC=Cc3ccccc3)c(C)nc12
InChIInChI=1S/C20H21N3O2/c1-4-25-20(24)18-13-21-23-15(3)17(14(2)22-19(18)23)12-8-11-16-9-6-5-7-10-16/h5-11,13H,4,12H2,1-3H3
InChIKeyFANCKMJGOISFBQ-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.78
Rot. Bonds5

About ethyl 5,7-dimethyl-6-(3-phenylprop-2-enyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 5,7-dimethyl-6-(3-phenylprop-2-enyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 1480603) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is ethyl 5,7-dimethyl-6-(3-phenylprop-2-enyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5,7-dimethyl-6-(3-phenylprop-2-enyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID1480603
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Nameethyl 5,7-dimethyl-6-(3-phenylprop-2-enyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(C)c(CC=Cc3ccccc3)c(C)nc12
InChIInChI=1S/C20H21N3O2/c1-4-25-20(24)18-13-21-23-15(3)17(14(2)22-19(18)23)12-8-11-16-9-6-5-7-10-16/h5-11,13H,4,12H2,1-3H3
InChIKeyFANCKMJGOISFBQ-UHFFFAOYSA-N
XLogP3.78
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 113225230
5,7-dimethyl-6-(3-phenylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 1477915
6-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 4547315
ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 656076
[8-amino-2,3-dimethyl-7-(3-phenylprop-2-enyl)imidazo[1,2-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone
CID 69110300
5,7-dimethyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 5168610
[(E)-3-phenylprop-2-enyl] 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 70481088
ethyl 7-chloro-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 82274224
ethyl 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 11230936
ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 162374914
8-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dimethyl-7-(3-phenylprop-2-enyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 69109989
ethyl 7-[(E)-2-phenylethenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 30465404

Frequently Asked Questions

What is the IUPAC name of ethyl 5,7-dimethyl-6-(3-phenylprop-2-enyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 5,7-dimethyl-6-(3-phenylprop-2-enyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 1480603) is ethyl 5,7-dimethyl-6-(3-phenylprop-2-enyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 5,7-dimethyl-6-(3-phenylprop-2-enyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 5,7-dimethyl-6-(3-phenylprop-2-enyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2c(C)c(CC=Cc3ccccc3)c(C)nc12.
What is the InChIKey of ethyl 5,7-dimethyl-6-(3-phenylprop-2-enyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is FANCKMJGOISFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-4-25-20(24)18-13-21-23-15(3)17(14(2)22-19(18)23)12-8-11-16-9-6-5-7-10-16/h5-11,13H,4,12H2,1-3H3.
What are the key properties of ethyl 5,7-dimethyl-6-(3-phenylprop-2-enyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 5,7-dimethyl-6-(3-phenylprop-2-enyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 335.41 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,7-dimethyl-6-(3-phenylprop-2-enyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 1480603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).