N'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide

C19H22N4O3 — CID 51186275

IUPACN'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
SMILESO=C(CC1CC2CCC1C2)NNC(=O)c1nn(-c2ccccc2)cc1O
InChIInChI=1S/C19H22N4O3/c24-16-11-23(15-4-2-1-3-5-15)22-18(16)19(26)21-20-17(25)10-14-9-12-6-7-13(14)8-12/h1-5,11-14,24H,6-10H2,(H,20,25)(H,21,26)
InChIKeyXCZNCFKWIJHDSD-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.17
Rot. Bonds4

About N'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide

N'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide (PubChem CID 51186275) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
PubChem CID51186275
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
SMILESO=C(CC1CC2CCC1C2)NNC(=O)c1nn(-c2ccccc2)cc1O
InChIInChI=1S/C19H22N4O3/c24-16-11-23(15-4-2-1-3-5-15)22-18(16)19(26)21-20-17(25)10-14-9-12-6-7-13(14)8-12/h1-5,11-14,24H,6-10H2,(H,20,25)(H,21,26)
InChIKeyXCZNCFKWIJHDSD-UHFFFAOYSA-N
XLogP2.17
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide?
The IUPAC name of N'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide (CID 51186275) is N'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide.
What is the SMILES notation for N'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide?
The canonical SMILES for N'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide is O=C(CC1CC2CCC1C2)NNC(=O)c1nn(-c2ccccc2)cc1O.
What is the InChIKey of N'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide?
The InChIKey is XCZNCFKWIJHDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c24-16-11-23(15-4-2-1-3-5-15)22-18(16)19(26)21-20-17(25)10-14-9-12-6-7-13(14)8-12/h1-5,11-14,24H,6-10H2,(H,20,25)(H,21,26).
What are the key properties of N'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide?
N'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide has a molecular weight of 354.41 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide is sourced from PubChem (CID 51186275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).