[7-ethyl-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone

C21H25N5O2 — CID 17121523

IUPAC[7-ethyl-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone
SMILESCCc1nn2c(C)c(C(=O)N3CCCCC3)nnc2c1-c1ccc(OC)cc1
InChIInChI=1S/C21H25N5O2/c1-4-17-18(15-8-10-16(28-3)11-9-15)20-23-22-19(14(2)26(20)24-17)21(27)25-12-6-5-7-13-25/h8-11H,4-7,12-13H2,1-3H3
InChIKeyWOXNYGNHTDLMHQ-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.30
Rot. Bonds4

About [7-ethyl-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone

[7-ethyl-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone (PubChem CID 17121523) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is [7-ethyl-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[7-ethyl-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone
PubChem CID17121523
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name[7-ethyl-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone
SMILESCCc1nn2c(C)c(C(=O)N3CCCCC3)nnc2c1-c1ccc(OC)cc1
InChIInChI=1S/C21H25N5O2/c1-4-17-18(15-8-10-16(28-3)11-9-15)20-23-22-19(14(2)26(20)24-17)21(27)25-12-6-5-7-13-25/h8-11H,4-7,12-13H2,1-3H3
InChIKeyWOXNYGNHTDLMHQ-UHFFFAOYSA-N
XLogP3.30
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-benzylpiperazin-1-yl)-[7-ethyl-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]methanone
CID 17035598
[8-(3,4-dimethoxyphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone
CID 43864253
2-methoxyethyl 7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 43840800
(4-ethylpiperazin-1-yl)-[7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-3-yl]methanone
CID 43832790
8-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-7-ethyl-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 16652870
7-ethyl-N-(2-methoxyphenyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 17228388
N-(2-ethoxyphenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864222
(4-benzylpiperazin-1-yl)-(7-ethyl-4-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazin-3-yl)methanone
CID 16652911
7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864223
(4-benzylpiperazin-1-yl)-[2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanone
CID 43865364
N-(3-chloro-4-fluorophenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 30315361
[5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone
CID 50745397

Frequently Asked Questions

What is the IUPAC name of [7-ethyl-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [7-ethyl-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone (CID 17121523) is [7-ethyl-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [7-ethyl-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [7-ethyl-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone is CCc1nn2c(C)c(C(=O)N3CCCCC3)nnc2c1-c1ccc(OC)cc1.
What is the InChIKey of [7-ethyl-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is WOXNYGNHTDLMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-4-17-18(15-8-10-16(28-3)11-9-15)20-23-22-19(14(2)26(20)24-17)21(27)25-12-6-5-7-13-25/h8-11H,4-7,12-13H2,1-3H3.
What are the key properties of [7-ethyl-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone?
[7-ethyl-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 379.46 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-ethyl-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 17121523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).