N'-(cyclohex-3-ene-1-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide

C17H18N4O3 — CID 51276609

IUPACN'-(cyclohex-3-ene-1-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
SMILESO=C(NNC(=O)C1CC=CCC1)c1nn(-c2ccccc2)cc1O
InChIInChI=1S/C17H18N4O3/c22-14-11-21(13-9-5-2-6-10-13)20-15(14)17(24)19-18-16(23)12-7-3-1-4-8-12/h1-3,5-6,9-12,22H,4,7-8H2,(H,18,23)(H,19,24)
InChIKeyDUTWMQHISRVVBM-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.70
Rot. Bonds3

About N'-(cyclohex-3-ene-1-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide

N'-(cyclohex-3-ene-1-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide (PubChem CID 51276609) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N'-(cyclohex-3-ene-1-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(cyclohex-3-ene-1-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
PubChem CID51276609
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN'-(cyclohex-3-ene-1-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
SMILESO=C(NNC(=O)C1CC=CCC1)c1nn(-c2ccccc2)cc1O
InChIInChI=1S/C17H18N4O3/c22-14-11-21(13-9-5-2-6-10-13)20-15(14)17(24)19-18-16(23)12-7-3-1-4-8-12/h1-3,5-6,9-12,22H,4,7-8H2,(H,18,23)(H,19,24)
InChIKeyDUTWMQHISRVVBM-UHFFFAOYSA-N
XLogP1.70
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-4-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]piperidine-1-carboxamide
CID 46471859
N'-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 46581353
4-hydroxy-1-phenyl-N'-(thiophene-3-carbonyl)pyrazole-3-carbohydrazide
CID 9452480
N'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 51186275
4-hydroxy-N'-pentanoyl-1-phenylpyrazole-3-carbohydrazide
CID 17478623
N'-[4-(1,3-dithian-2-yl)benzoyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 46657592
N'-phenylcyclohex-3-ene-1-carbohydrazide
CID 14323120
N'-[2-(4-chlorophenyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 17483063
N'-(2,5-dimethylfuran-3-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 17415770
N'-(1,3-benzodioxole-5-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 17419223
(1S)-N'-(2-phenylacetyl)cyclohex-3-ene-1-carbohydrazide
CID 766579
N-[3-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]oxolane-2-carboxamide
CID 46643393

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohex-3-ene-1-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide?
The IUPAC name of N'-(cyclohex-3-ene-1-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide (CID 51276609) is N'-(cyclohex-3-ene-1-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide.
What is the SMILES notation for N'-(cyclohex-3-ene-1-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide?
The canonical SMILES for N'-(cyclohex-3-ene-1-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide is O=C(NNC(=O)C1CC=CCC1)c1nn(-c2ccccc2)cc1O.
What is the InChIKey of N'-(cyclohex-3-ene-1-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide?
The InChIKey is DUTWMQHISRVVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c22-14-11-21(13-9-5-2-6-10-13)20-15(14)17(24)19-18-16(23)12-7-3-1-4-8-12/h1-3,5-6,9-12,22H,4,7-8H2,(H,18,23)(H,19,24).
What are the key properties of N'-(cyclohex-3-ene-1-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide?
N'-(cyclohex-3-ene-1-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide has a molecular weight of 326.36 g/mol, XLogP of 1.70, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohex-3-ene-1-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide is sourced from PubChem (CID 51276609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).