2-hydroxy-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propanamide

C11H20N4O2 — CID 114153544

IUPAC2-hydroxy-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propanamide
SMILESCc1nn(C)c(C)c1C(C)NCC(O)C(N)=O
InChIInChI=1S/C11H20N4O2/c1-6(13-5-9(16)11(12)17)10-7(2)14-15(4)8(10)3/h6,9,13,16H,5H2,1-4H3,(H2,12,17)
InChIKeyXYZCYWQEGZVWGP-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.47
Rot. Bonds5

About 2-hydroxy-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propanamide

2-hydroxy-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propanamide (PubChem CID 114153544) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-hydroxy-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propanamide
PubChem CID114153544
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-hydroxy-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propanamide
SMILESCc1nn(C)c(C)c1C(C)NCC(O)C(N)=O
InChIInChI=1S/C11H20N4O2/c1-6(13-5-9(16)11(12)17)10-7(2)14-15(4)8(10)3/h6,9,13,16H,5H2,1-4H3,(H2,12,17)
InChIKeyXYZCYWQEGZVWGP-UHFFFAOYSA-N
XLogP-0.47
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentan-2-ol
CID 103783108
2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine
CID 62692855
5-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentan-2-ol
CID 107270383
2-chloro-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]prop-2-en-1-amine
CID 115891116
2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide
CID 86789477
2,2-dimethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine
CID 103460633
[1-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]cyclohexyl]methanol
CID 115892930
2-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanoic acid
CID 65055851
2-methyl-2-methylsulfanyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115726066
3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-2-hydroxypropanamide
CID 106170857
2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide
CID 79236503
N-[(2,2-dimethylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 113348518

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propanamide?
The IUPAC name of 2-hydroxy-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propanamide (CID 114153544) is 2-hydroxy-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propanamide?
The canonical SMILES for 2-hydroxy-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propanamide is Cc1nn(C)c(C)c1C(C)NCC(O)C(N)=O.
What is the InChIKey of 2-hydroxy-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propanamide?
The InChIKey is XYZCYWQEGZVWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-6(13-5-9(16)11(12)17)10-7(2)14-15(4)8(10)3/h6,9,13,16H,5H2,1-4H3,(H2,12,17).
What are the key properties of 2-hydroxy-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propanamide?
2-hydroxy-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propanamide has a molecular weight of 240.31 g/mol, XLogP of -0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propanamide is sourced from PubChem (CID 114153544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).