4-(4-chlorophenyl)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)butanehydrazide

C15H22ClN3O2 — CID 3079191

IUPAC4-(4-chlorophenyl)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)butanehydrazide
SMILESNNC(=O)C(CC(O)c1ccc(Cl)cc1)CN1CCCC1
InChIInChI=1S/C15H22ClN3O2/c16-13-5-3-11(4-6-13)14(20)9-12(15(21)18-17)10-19-7-1-2-8-19/h3-6,12,14,20H,1-2,7-10,17H2,(H,18,21)
InChIKeyPQHXRQWIFPWMIN-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.47
Rot. Bonds6

About 4-(4-chlorophenyl)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)butanehydrazide

4-(4-chlorophenyl)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)butanehydrazide (PubChem CID 3079191) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)butanehydrazide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)butanehydrazide
PubChem CID3079191
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name4-(4-chlorophenyl)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)butanehydrazide
SMILESNNC(=O)C(CC(O)c1ccc(Cl)cc1)CN1CCCC1
InChIInChI=1S/C15H22ClN3O2/c16-13-5-3-11(4-6-13)14(20)9-12(15(21)18-17)10-19-7-1-2-8-19/h3-6,12,14,20H,1-2,7-10,17H2,(H,18,21)
InChIKeyPQHXRQWIFPWMIN-UHFFFAOYSA-N
XLogP1.47
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 4-(4-chlorophenyl)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)butanehydrazide?
The IUPAC name of 4-(4-chlorophenyl)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)butanehydrazide (CID 3079191) is 4-(4-chlorophenyl)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)butanehydrazide.
What is the SMILES notation for 4-(4-chlorophenyl)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)butanehydrazide?
The canonical SMILES for 4-(4-chlorophenyl)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)butanehydrazide is NNC(=O)C(CC(O)c1ccc(Cl)cc1)CN1CCCC1.
What is the InChIKey of 4-(4-chlorophenyl)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)butanehydrazide?
The InChIKey is PQHXRQWIFPWMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c16-13-5-3-11(4-6-13)14(20)9-12(15(21)18-17)10-19-7-1-2-8-19/h3-6,12,14,20H,1-2,7-10,17H2,(H,18,21).
What are the key properties of 4-(4-chlorophenyl)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)butanehydrazide?
4-(4-chlorophenyl)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)butanehydrazide has a molecular weight of 311.81 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)butanehydrazide is sourced from PubChem (CID 3079191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).