N'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide

C19H22N4O2 — CID 24540990

IUPACN'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESO=C(CC1CC2CCC1C2)NNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C19H22N4O2/c24-18(10-15-9-12-6-7-14(15)8-12)22-23-19(25)17-11-16(20-21-17)13-4-2-1-3-5-13/h1-5,11-12,14-15H,6-10H2,(H,20,21)(H,22,24)(H,23,25)
InChIKeyAGHVJNOFMOODEO-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.66
Rot. Bonds4

About N'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide

N'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide (PubChem CID 24540990) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
PubChem CID24540990
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESO=C(CC1CC2CCC1C2)NNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C19H22N4O2/c24-18(10-15-9-12-6-7-14(15)8-12)22-23-19(25)17-11-16(20-21-17)13-4-2-1-3-5-13/h1-5,11-12,14-15H,6-10H2,(H,20,21)(H,22,24)(H,23,25)
InChIKeyAGHVJNOFMOODEO-UHFFFAOYSA-N
XLogP2.66
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 11944434
3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide
CID 2677236
N'-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]pyridine-4-carbohydrazide
CID 98605976
N'-[2-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 11917170
N'-(3-methylsulfanylpropanoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 18164415
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11932785
2-(1-adamantyl)-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]acetamide
CID 27689352
N'-[3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 9075646
N'-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(2-phenoxyethoxy)benzohydrazide
CID 11944432
N'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 51186275
N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 98404536
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 8889318

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide?
The IUPAC name of N'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide (CID 24540990) is N'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for N'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for N'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide is O=C(CC1CC2CCC1C2)NNC(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide?
The InChIKey is AGHVJNOFMOODEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-18(10-15-9-12-6-7-14(15)8-12)22-23-19(25)17-11-16(20-21-17)13-4-2-1-3-5-13/h1-5,11-12,14-15H,6-10H2,(H,20,21)(H,22,24)(H,23,25).
What are the key properties of N'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide?
N'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide has a molecular weight of 338.41 g/mol, XLogP of 2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 24540990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).