ethyl 5-chloro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate

C18H19ClN4O3 — CID 146451100

IUPACethyl 5-chloro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(N(C)Cc3ccc(OC)cc3)cc(Cl)nc12
InChIInChI=1S/C18H19ClN4O3/c1-4-26-18(24)14-10-20-23-16(9-15(19)21-17(14)23)22(2)11-12-5-7-13(25-3)8-6-12/h5-10H,4,11H2,1-3H3
InChIKeyLLZLNRIIDPMFHL-UHFFFAOYSA-N
MW374.83 g/mol
LogP3.20
Rot. Bonds6

About ethyl 5-chloro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 5-chloro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 146451100) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is ethyl 5-chloro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID146451100
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC Nameethyl 5-chloro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(N(C)Cc3ccc(OC)cc3)cc(Cl)nc12
InChIInChI=1S/C18H19ClN4O3/c1-4-26-18(24)14-10-20-23-16(9-15(19)21-17(14)23)22(2)11-12-5-7-13(25-3)8-6-12/h5-10H,4,11H2,1-3H3
InChIKeyLLZLNRIIDPMFHL-UHFFFAOYSA-N
XLogP3.20
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 5-chloro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 146451100) is ethyl 5-chloro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 5-chloro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 5-chloro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2c(N(C)Cc3ccc(OC)cc3)cc(Cl)nc12.
What is the InChIKey of ethyl 5-chloro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is LLZLNRIIDPMFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c1-4-26-18(24)14-10-20-23-16(9-15(19)21-17(14)23)22(2)11-12-5-7-13(25-3)8-6-12/h5-10H,4,11H2,1-3H3.
What are the key properties of ethyl 5-chloro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 5-chloro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 374.83 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 146451100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).