2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide

C8H12ClN3O2 — CID 19518354

IUPAC2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
SMILESCc1nn(CC(=O)NCCO)cc1Cl
InChIInChI=1S/C8H12ClN3O2/c1-6-7(9)4-12(11-6)5-8(14)10-2-3-13/h4,13H,2-3,5H2,1H3,(H,10,14)
InChIKeySYDKKQCAVJLLHL-UHFFFAOYSA-N
MW217.66 g/mol
LogP-0.05
Rot. Bonds4

About 2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide

2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide (PubChem CID 19518354) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is 2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
PubChem CID19518354
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Name2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
SMILESCc1nn(CC(=O)NCCO)cc1Cl
InChIInChI=1S/C8H12ClN3O2/c1-6-7(9)4-12(11-6)5-8(14)10-2-3-13/h4,13H,2-3,5H2,1H3,(H,10,14)
InChIKeySYDKKQCAVJLLHL-UHFFFAOYSA-N
XLogP-0.05
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide (CID 19518354) is 2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide is Cc1nn(CC(=O)NCCO)cc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is SYDKKQCAVJLLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2/c1-6-7(9)4-12(11-6)5-8(14)10-2-3-13/h4,13H,2-3,5H2,1H3,(H,10,14).
What are the key properties of 2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide?
2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 217.66 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 19518354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).