N-(2,5-dimethylpyrazol-3-yl)-2-hydroxypropanamide

C8H13N3O2 — CID 130679371

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-hydroxypropanamide
SMILESCc1cc(NC(=O)C(C)O)n(C)n1
InChIInChI=1S/C8H13N3O2/c1-5-4-7(11(3)10-5)9-8(13)6(2)12/h4,6,12H,1-3H3,(H,9,13)
InChIKeyVYDBMSSAIZZBCR-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.05
Rot. Bonds2

About N-(2,5-dimethylpyrazol-3-yl)-2-hydroxypropanamide

N-(2,5-dimethylpyrazol-3-yl)-2-hydroxypropanamide (PubChem CID 130679371) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-hydroxypropanamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-hydroxypropanamide
PubChem CID130679371
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-hydroxypropanamide
SMILESCc1cc(NC(=O)C(C)O)n(C)n1
InChIInChI=1S/C8H13N3O2/c1-5-4-7(11(3)10-5)9-8(13)6(2)12/h4,6,12H,1-3H3,(H,9,13)
InChIKeyVYDBMSSAIZZBCR-UHFFFAOYSA-N
XLogP0.05
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-hydroxypropanamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-hydroxypropanamide (CID 130679371) is N-(2,5-dimethylpyrazol-3-yl)-2-hydroxypropanamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-hydroxypropanamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-hydroxypropanamide is Cc1cc(NC(=O)C(C)O)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-hydroxypropanamide?
The InChIKey is VYDBMSSAIZZBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5-4-7(11(3)10-5)9-8(13)6(2)12/h4,6,12H,1-3H3,(H,9,13).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-hydroxypropanamide?
N-(2,5-dimethylpyrazol-3-yl)-2-hydroxypropanamide has a molecular weight of 183.21 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-hydroxypropanamide is sourced from PubChem (CID 130679371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).