(4R)-4-(2-hydroxyethyl)-5-oxo-1,4-dihydropyrazole-3-carbohydrazide

C6H10N4O3 — CID 98130844

IUPAC(4R)-4-(2-hydroxyethyl)-5-oxo-1,4-dihydropyrazole-3-carbohydrazide
SMILESNNC(=O)C1=NNC(=O)[C@@H]1CCO
InChIInChI=1S/C6H10N4O3/c7-8-6(13)4-3(1-2-11)5(12)10-9-4/h3,11H,1-2,7H2,(H,8,13)(H,10,12)/t3-/m1/s1
InChIKeyXGELPPUIEXXHCR-GSVOUGTGSA-N
MW186.17 g/mol
LogP-2.54
Rot. Bonds3

About (4R)-4-(2-hydroxyethyl)-5-oxo-1,4-dihydropyrazole-3-carbohydrazide

(4R)-4-(2-hydroxyethyl)-5-oxo-1,4-dihydropyrazole-3-carbohydrazide (PubChem CID 98130844) has the molecular formula C6H10N4O3 and a molecular weight of 186.17 g/mol. Its IUPAC name is (4R)-4-(2-hydroxyethyl)-5-oxo-1,4-dihydropyrazole-3-carbohydrazide.

Molecular Properties

Compound Name(4R)-4-(2-hydroxyethyl)-5-oxo-1,4-dihydropyrazole-3-carbohydrazide
PubChem CID98130844
Molecular FormulaC6H10N4O3
Molecular Weight186.17 g/mol
Exact Mass186.08
IUPAC Name(4R)-4-(2-hydroxyethyl)-5-oxo-1,4-dihydropyrazole-3-carbohydrazide
SMILESNNC(=O)C1=NNC(=O)[C@@H]1CCO
InChIInChI=1S/C6H10N4O3/c7-8-6(13)4-3(1-2-11)5(12)10-9-4/h3,11H,1-2,7H2,(H,8,13)(H,10,12)/t3-/m1/s1
InChIKeyXGELPPUIEXXHCR-GSVOUGTGSA-N
XLogP-2.54
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-2.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-hydroxyethyl)-5-oxo-1,4-dihydropyrazole-3-carbohydrazide?
The IUPAC name of (4R)-4-(2-hydroxyethyl)-5-oxo-1,4-dihydropyrazole-3-carbohydrazide (CID 98130844) is (4R)-4-(2-hydroxyethyl)-5-oxo-1,4-dihydropyrazole-3-carbohydrazide.
What is the SMILES notation for (4R)-4-(2-hydroxyethyl)-5-oxo-1,4-dihydropyrazole-3-carbohydrazide?
The canonical SMILES for (4R)-4-(2-hydroxyethyl)-5-oxo-1,4-dihydropyrazole-3-carbohydrazide is NNC(=O)C1=NNC(=O)[C@@H]1CCO.
What is the InChIKey of (4R)-4-(2-hydroxyethyl)-5-oxo-1,4-dihydropyrazole-3-carbohydrazide?
The InChIKey is XGELPPUIEXXHCR-GSVOUGTGSA-N. The full InChI is InChI=1S/C6H10N4O3/c7-8-6(13)4-3(1-2-11)5(12)10-9-4/h3,11H,1-2,7H2,(H,8,13)(H,10,12)/t3-/m1/s1.
What are the key properties of (4R)-4-(2-hydroxyethyl)-5-oxo-1,4-dihydropyrazole-3-carbohydrazide?
(4R)-4-(2-hydroxyethyl)-5-oxo-1,4-dihydropyrazole-3-carbohydrazide has a molecular weight of 186.17 g/mol, XLogP of -2.54, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-hydroxyethyl)-5-oxo-1,4-dihydropyrazole-3-carbohydrazide is sourced from PubChem (CID 98130844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).