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

C9H14ClN3O2 — CID 19533955

IUPAC2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-hydroxyethyl)propanamide
SMILESCc1nn(C(C)C(=O)NCCO)cc1Cl
InChIInChI=1S/C9H14ClN3O2/c1-6-8(10)5-13(12-6)7(2)9(15)11-3-4-14/h5,7,14H,3-4H2,1-2H3,(H,11,15)
InChIKeyNUZVWDFORVXTJA-UHFFFAOYSA-N
MW231.68 g/mol
LogP0.51
Rot. Bonds4

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

2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-hydroxyethyl)propanamide (PubChem CID 19533955) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is 2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-hydroxyethyl)propanamide
PubChem CID19533955
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Name2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-hydroxyethyl)propanamide
SMILESCc1nn(C(C)C(=O)NCCO)cc1Cl
InChIInChI=1S/C9H14ClN3O2/c1-6-8(10)5-13(12-6)7(2)9(15)11-3-4-14/h5,7,14H,3-4H2,1-2H3,(H,11,15)
InChIKeyNUZVWDFORVXTJA-UHFFFAOYSA-N
XLogP0.51
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 50.51
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)propanamide?
The IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-hydroxyethyl)propanamide (CID 19533955) is 2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-hydroxyethyl)propanamide is Cc1nn(C(C)C(=O)NCCO)cc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-hydroxyethyl)propanamide?
The InChIKey is NUZVWDFORVXTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2/c1-6-8(10)5-13(12-6)7(2)9(15)11-3-4-14/h5,7,14H,3-4H2,1-2H3,(H,11,15).
What are the key properties of 2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-hydroxyethyl)propanamide?
2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-hydroxyethyl)propanamide has a molecular weight of 231.68 g/mol, XLogP of 0.51, 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)propanamide is sourced from PubChem (CID 19533955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).