N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-2-(methylamino)acetamide

C9H16N4O2 — CID 110479037

IUPACN-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1cc(C)nn1CCO
InChIInChI=1S/C9H16N4O2/c1-7-5-8(11-9(15)6-10-2)13(12-7)3-4-14/h5,10,14H,3-4,6H2,1-2H3,(H,11,15)
InChIKeyMWIRXGADAYYTJP-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.66
Rot. Bonds5

About N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-2-(methylamino)acetamide

N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-2-(methylamino)acetamide (PubChem CID 110479037) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-2-(methylamino)acetamide
PubChem CID110479037
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC NameN-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1cc(C)nn1CCO
InChIInChI=1S/C9H16N4O2/c1-7-5-8(11-9(15)6-10-2)13(12-7)3-4-14/h5,10,14H,3-4,6H2,1-2H3,(H,11,15)
InChIKeyMWIRXGADAYYTJP-UHFFFAOYSA-N
XLogP-0.66
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide
CID 110479535
2-amino-N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide
CID 110481411
1-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-phenylurea
CID 110483127
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide
CID 110482309
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
CID 110482972
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-1-methyltriazole-4-carboxamide
CID 110482110
1-cyclohexyl-3-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]urea
CID 47079357
N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)acetamide
CID 60703413
2-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide
CID 69192332
2-[3-methyl-5-(4-methylpentan-2-ylamino)pyrazol-1-yl]ethanol
CID 115925989
2-[5-(cyclohexylamino)-3-methylpyrazol-1-yl]ethanol
CID 115653189
N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-2-(methylamino)acetamide
CID 110479041

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-2-(methylamino)acetamide?
The IUPAC name of N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-2-(methylamino)acetamide (CID 110479037) is N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-2-(methylamino)acetamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-2-(methylamino)acetamide is CNCC(=O)Nc1cc(C)nn1CCO.
What is the InChIKey of N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-2-(methylamino)acetamide?
The InChIKey is MWIRXGADAYYTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-7-5-8(11-9(15)6-10-2)13(12-7)3-4-14/h5,10,14H,3-4,6H2,1-2H3,(H,11,15).
What are the key properties of N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-2-(methylamino)acetamide?
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-2-(methylamino)acetamide has a molecular weight of 212.25 g/mol, XLogP of -0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-2-(methylamino)acetamide is sourced from PubChem (CID 110479037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).