ethyl 3-(4-chlorophenyl)-7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

C18H18ClN3O3 — CID 126142439

IUPACethyl 3-(4-chlorophenyl)-7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(-c3ccc(Cl)cc3)c(C)nn2c1COC
InChIInChI=1S/C18H18ClN3O3/c1-4-25-18(23)14-9-20-17-16(12-5-7-13(19)8-6-12)11(2)21-22(17)15(14)10-24-3/h5-9H,4,10H2,1-3H3
InChIKeySUACNIPJRYHFKP-UHFFFAOYSA-N
MW359.81 g/mol
LogP3.68
Rot. Bonds5

About ethyl 3-(4-chlorophenyl)-7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 3-(4-chlorophenyl)-7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 126142439) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is ethyl 3-(4-chlorophenyl)-7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-chlorophenyl)-7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID126142439
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC Nameethyl 3-(4-chlorophenyl)-7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(-c3ccc(Cl)cc3)c(C)nn2c1COC
InChIInChI=1S/C18H18ClN3O3/c1-4-25-18(23)14-9-20-17-16(12-5-7-13(19)8-6-12)11(2)21-22(17)15(14)10-24-3/h5-9H,4,10H2,1-3H3
InChIKeySUACNIPJRYHFKP-UHFFFAOYSA-N
XLogP3.68
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 654938
3-(4-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 45496385
ethyl 8-(4-chlorophenyl)-7-methyl-4-[(4-methylphenyl)sulfanylmethyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17228359
N-[5-(diethylamino)pentan-2-yl]-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4562038
N-cyclohexyl-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 3422822
ethyl 7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 937353
ethyl 7-(4-chlorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 42877153
3,6-bis(4-chlorophenyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16767083
ethyl 2-[3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-3-phenylpropanoate
CID 66964081
ethyl 7-[(E)-2-(dimethylamino)ethenyl]-2-ethyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 25251790
methyl 7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 1481755
ethyl 7-amino-2-methyl-3-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 16585334

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-chlorophenyl)-7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 3-(4-chlorophenyl)-7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 126142439) is ethyl 3-(4-chlorophenyl)-7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 3-(4-chlorophenyl)-7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 3-(4-chlorophenyl)-7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2c(-c3ccc(Cl)cc3)c(C)nn2c1COC.
What is the InChIKey of ethyl 3-(4-chlorophenyl)-7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is SUACNIPJRYHFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-4-25-18(23)14-9-20-17-16(12-5-7-13(19)8-6-12)11(2)21-22(17)15(14)10-24-3/h5-9H,4,10H2,1-3H3.
What are the key properties of ethyl 3-(4-chlorophenyl)-7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 3-(4-chlorophenyl)-7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 359.81 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-chlorophenyl)-7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 126142439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).