2-[bis(2-hydroxyethyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C12H22N4O3 — CID 60686676

IUPAC2-[bis(2-hydroxyethyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CN(CCO)CCO
InChIInChI=1S/C12H22N4O3/c1-9-12(10(2)15(3)14-9)13-11(19)8-16(4-6-17)5-7-18/h17-18H,4-8H2,1-3H3,(H,13,19)
InChIKeyYORHFWZJCVCLJM-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.74
Rot. Bonds7

About 2-[bis(2-hydroxyethyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-[bis(2-hydroxyethyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 60686676) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID60686676
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name2-[bis(2-hydroxyethyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CN(CCO)CCO
InChIInChI=1S/C12H22N4O3/c1-9-12(10(2)15(3)14-9)13-11(19)8-16(4-6-17)5-7-18/h17-18H,4-8H2,1-3H3,(H,13,19)
InChIKeyYORHFWZJCVCLJM-UHFFFAOYSA-N
XLogP-0.74
TPSA90.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-propylamino]-N-propylacetamide
CID 87015037
2-[2-aminoethyl(methyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 62687728
N-(4-acetamidophenyl)-2-[ethyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]acetamide
CID 8791575
2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-prop-2-enylamino]acetic acid
CID 79277483
2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47006977
ethyl 2-[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]acetate
CID 62011215
2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60717287
2-[(4-fluorophenyl)methyl-pentylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86911666
(2R)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]propanoic acid
CID 83193828
2-(2-methoxyethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 103606715
4-hydroxy-N-(1,3,5-trimethylpyrazol-4-yl)pentanamide
CID 79192900
2-(prop-2-ynylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 78912800

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 60686676) is 2-[bis(2-hydroxyethyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)CN(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is YORHFWZJCVCLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-9-12(10(2)15(3)14-9)13-11(19)8-16(4-6-17)5-7-18/h17-18H,4-8H2,1-3H3,(H,13,19).
What are the key properties of 2-[bis(2-hydroxyethyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-[bis(2-hydroxyethyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 270.33 g/mol, XLogP of -0.74, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 60686676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).