ethyl 8-(2-methoxyphenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate

C19H22N4O3 — CID 17035686

IUPACethyl 8-(2-methoxyphenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
SMILESCCOC(=O)c1nnc2c(-c3ccccc3OC)c(C(C)C)nn2c1C
InChIInChI=1S/C19H22N4O3/c1-6-26-19(24)17-12(4)23-18(21-20-17)15(16(22-23)11(2)3)13-9-7-8-10-14(13)25-5/h7-11H,6H2,1-5H3
InChIKeyWINQPBWERCGVDM-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.41
Rot. Bonds5

About ethyl 8-(2-methoxyphenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate

ethyl 8-(2-methoxyphenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate (PubChem CID 17035686) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is ethyl 8-(2-methoxyphenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-(2-methoxyphenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
PubChem CID17035686
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Nameethyl 8-(2-methoxyphenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
SMILESCCOC(=O)c1nnc2c(-c3ccccc3OC)c(C(C)C)nn2c1C
InChIInChI=1S/C19H22N4O3/c1-6-26-19(24)17-12(4)23-18(21-20-17)15(16(22-23)11(2)3)13-9-7-8-10-14(13)25-5/h7-11H,6H2,1-5H3
InChIKeyWINQPBWERCGVDM-UHFFFAOYSA-N
XLogP3.41
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 8-(2-methoxyphenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate with MolForge

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Related Compounds

ethyl 4-methyl-8-naphthalen-1-yl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17035687
ethyl 8-(4-fluorophenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17035682
ethyl 4-amino-7-ethyl-8-(2-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17190398
ethyl 4-amino-8-phenyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17229086
(8S)-3-(2-methoxyphenyl)-2-propan-2-yl-8-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one
CID 41386898
methyl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17147947
ethyl 8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 74538685
N-(3-chloro-4-methylphenyl)-8-(2-methoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 30315260
prop-2-enyl 7-ethyl-4-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17228425
ethyl 2-(2-methoxyphenyl)-5-(4-methylbenzoyl)-1-propan-2-ylimidazole-4-carboxylate
CID 144673461
6-ethyl-3-(2-methoxyphenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 137481226
7-ethyl-N-(2-methoxyphenyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 17228388

Frequently Asked Questions

What is the IUPAC name of ethyl 8-(2-methoxyphenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
The IUPAC name of ethyl 8-(2-methoxyphenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate (CID 17035686) is ethyl 8-(2-methoxyphenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate.
What is the SMILES notation for ethyl 8-(2-methoxyphenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
The canonical SMILES for ethyl 8-(2-methoxyphenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate is CCOC(=O)c1nnc2c(-c3ccccc3OC)c(C(C)C)nn2c1C.
What is the InChIKey of ethyl 8-(2-methoxyphenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
The InChIKey is WINQPBWERCGVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-6-26-19(24)17-12(4)23-18(21-20-17)15(16(22-23)11(2)3)13-9-7-8-10-14(13)25-5/h7-11H,6H2,1-5H3.
What are the key properties of ethyl 8-(2-methoxyphenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
ethyl 8-(2-methoxyphenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate has a molecular weight of 354.41 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-(2-methoxyphenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate is sourced from PubChem (CID 17035686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).