ethyl N-[2-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylamino]ethyl]triazol-4-yl]carbamate

C15H23N7O3 — CID 112530157

IUPACethyl N-[2-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylamino]ethyl]triazol-4-yl]carbamate
SMILESCCOC(=O)Nc1cnn(CC(=O)NCCc2c(C)nn(C)c2C)n1
InChIInChI=1S/C15H23N7O3/c1-5-25-15(24)18-13-8-17-22(20-13)9-14(23)16-7-6-12-10(2)19-21(4)11(12)3/h8H,5-7,9H2,1-4H3,(H,16,23)(H,18,20,24)
InChIKeyZQRQSICREMYBQK-UHFFFAOYSA-N
MW349.40 g/mol
LogP0.56
Rot. Bonds7

About ethyl N-[2-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylamino]ethyl]triazol-4-yl]carbamate

ethyl N-[2-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylamino]ethyl]triazol-4-yl]carbamate (PubChem CID 112530157) has the molecular formula C15H23N7O3 and a molecular weight of 349.40 g/mol. Its IUPAC name is ethyl N-[2-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylamino]ethyl]triazol-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylamino]ethyl]triazol-4-yl]carbamate
PubChem CID112530157
Molecular FormulaC15H23N7O3
Molecular Weight349.40 g/mol
Exact Mass349.19
IUPAC Nameethyl N-[2-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylamino]ethyl]triazol-4-yl]carbamate
SMILESCCOC(=O)Nc1cnn(CC(=O)NCCc2c(C)nn(C)c2C)n1
InChIInChI=1S/C15H23N7O3/c1-5-25-15(24)18-13-8-17-22(20-13)9-14(23)16-7-6-12-10(2)19-21(4)11(12)3/h8H,5-7,9H2,1-4H3,(H,16,23)(H,18,20,24)
InChIKeyZQRQSICREMYBQK-UHFFFAOYSA-N
XLogP0.56
TPSA115.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl N-[2-(2-amino-2-oxoethyl)triazol-4-yl]carbamate
CID 112520587
ethyl N-[2-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]triazol-4-yl]carbamate
CID 112522203
methyl N-[2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]triazol-4-yl]carbamate
CID 112530230
3-amino-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 110460217
ethyl N-[2-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]carbamate
CID 112530460
N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pentanamide
CID 86930102
methyl N-[2-[2-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]triazol-4-yl]carbamate
CID 112529995
2,5-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 87025021
ethyl N-[2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112521547
ethyl N-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112522070
5-amino-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 82546172
ethyl N-[2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]triazol-4-yl]carbamate
CID 112531278

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylamino]ethyl]triazol-4-yl]carbamate?
The IUPAC name of ethyl N-[2-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylamino]ethyl]triazol-4-yl]carbamate (CID 112530157) is ethyl N-[2-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylamino]ethyl]triazol-4-yl]carbamate.
What is the SMILES notation for ethyl N-[2-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylamino]ethyl]triazol-4-yl]carbamate?
The canonical SMILES for ethyl N-[2-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylamino]ethyl]triazol-4-yl]carbamate is CCOC(=O)Nc1cnn(CC(=O)NCCc2c(C)nn(C)c2C)n1.
What is the InChIKey of ethyl N-[2-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylamino]ethyl]triazol-4-yl]carbamate?
The InChIKey is ZQRQSICREMYBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O3/c1-5-25-15(24)18-13-8-17-22(20-13)9-14(23)16-7-6-12-10(2)19-21(4)11(12)3/h8H,5-7,9H2,1-4H3,(H,16,23)(H,18,20,24).
What are the key properties of ethyl N-[2-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylamino]ethyl]triazol-4-yl]carbamate?
ethyl N-[2-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylamino]ethyl]triazol-4-yl]carbamate has a molecular weight of 349.40 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylamino]ethyl]triazol-4-yl]carbamate is sourced from PubChem (CID 112530157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).