methyl 1-[2-[(2-ethyltriazol-4-yl)amino]-2-oxoethyl]pyrazole-3-carboxylate

C11H14N6O3 — CID 46988642

IUPACmethyl 1-[2-[(2-ethyltriazol-4-yl)amino]-2-oxoethyl]pyrazole-3-carboxylate
SMILESCCn1ncc(NC(=O)Cn2ccc(C(=O)OC)n2)n1
InChIInChI=1S/C11H14N6O3/c1-3-17-12-6-9(15-17)13-10(18)7-16-5-4-8(14-16)11(19)20-2/h4-6H,3,7H2,1-2H3,(H,13,15,18)
InChIKeyICQFDUJYCUFTQE-UHFFFAOYSA-N
MW278.27 g/mol
LogP-0.08
Rot. Bonds5

About methyl 1-[2-[(2-ethyltriazol-4-yl)amino]-2-oxoethyl]pyrazole-3-carboxylate

methyl 1-[2-[(2-ethyltriazol-4-yl)amino]-2-oxoethyl]pyrazole-3-carboxylate (PubChem CID 46988642) has the molecular formula C11H14N6O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is methyl 1-[2-[(2-ethyltriazol-4-yl)amino]-2-oxoethyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[(2-ethyltriazol-4-yl)amino]-2-oxoethyl]pyrazole-3-carboxylate
PubChem CID46988642
Molecular FormulaC11H14N6O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC Namemethyl 1-[2-[(2-ethyltriazol-4-yl)amino]-2-oxoethyl]pyrazole-3-carboxylate
SMILESCCn1ncc(NC(=O)Cn2ccc(C(=O)OC)n2)n1
InChIInChI=1S/C11H14N6O3/c1-3-17-12-6-9(15-17)13-10(18)7-16-5-4-8(14-16)11(19)20-2/h4-6H,3,7H2,1-2H3,(H,13,15,18)
InChIKeyICQFDUJYCUFTQE-UHFFFAOYSA-N
XLogP-0.08
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-ethyltriazol-4-yl)-2-[3-(3-methylpyrazin-2-yl)pyrazol-1-yl]acetamide
CID 46989829
methyl 1-propylpyrazole-3-carboxylate
CID 25247474
methyl 1-[2-[(1-methylindazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylate
CID 46988081
methyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrazole-3-carboxylate
CID 5300144
N-(2-propyltriazol-4-yl)-2-(triazol-1-yl)acetamide
CID 28766650
2-(3,5-dimethylpyrazol-1-yl)-N-(2-ethyltriazol-4-yl)acetamide
CID 46990903
methyl 1-non-8-ynylpyrazole-3-carboxylate
CID 166117834
methyl N-[2-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112524871
2-[4-(3-methoxypyrazin-2-yl)pyrazol-1-yl]-N-(2-propyltriazol-4-yl)acetamide
CID 30920795
2-ethyl-N-methoxytriazole-4-carboxamide
CID 130657611
2-(4-acetamidotriazol-2-yl)-N-ethylacetamide
CID 112519987
methyl N-[2-[2-oxo-2-(pyrimidin-4-ylamino)ethyl]triazol-4-yl]carbamate
CID 112524310

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[(2-ethyltriazol-4-yl)amino]-2-oxoethyl]pyrazole-3-carboxylate?
The IUPAC name of methyl 1-[2-[(2-ethyltriazol-4-yl)amino]-2-oxoethyl]pyrazole-3-carboxylate (CID 46988642) is methyl 1-[2-[(2-ethyltriazol-4-yl)amino]-2-oxoethyl]pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-[2-[(2-ethyltriazol-4-yl)amino]-2-oxoethyl]pyrazole-3-carboxylate?
The canonical SMILES for methyl 1-[2-[(2-ethyltriazol-4-yl)amino]-2-oxoethyl]pyrazole-3-carboxylate is CCn1ncc(NC(=O)Cn2ccc(C(=O)OC)n2)n1.
What is the InChIKey of methyl 1-[2-[(2-ethyltriazol-4-yl)amino]-2-oxoethyl]pyrazole-3-carboxylate?
The InChIKey is ICQFDUJYCUFTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O3/c1-3-17-12-6-9(15-17)13-10(18)7-16-5-4-8(14-16)11(19)20-2/h4-6H,3,7H2,1-2H3,(H,13,15,18).
What are the key properties of methyl 1-[2-[(2-ethyltriazol-4-yl)amino]-2-oxoethyl]pyrazole-3-carboxylate?
methyl 1-[2-[(2-ethyltriazol-4-yl)amino]-2-oxoethyl]pyrazole-3-carboxylate has a molecular weight of 278.27 g/mol, XLogP of -0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[(2-ethyltriazol-4-yl)amino]-2-oxoethyl]pyrazole-3-carboxylate is sourced from PubChem (CID 46988642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).