N'-[(2S)-oxolane-2-carbonyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide

C18H20N4O3 — CID 39479957

IUPACN'-[(2S)-oxolane-2-carbonyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
SMILESO=C(NNC(=O)[C@@H]1CCCO1)c1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C18H20N4O3/c23-17(15-10-5-11-25-15)19-20-18(24)16-13-8-4-9-14(13)22(21-16)12-6-2-1-3-7-12/h1-3,6-7,15H,4-5,8-11H2,(H,19,23)(H,20,24)/t15-/m0/s1
InChIKeyOIQYXHUIDKAKLY-HNNXBMFYSA-N
MW340.38 g/mol
LogP1.30
Rot. Bonds3

About N'-[(2S)-oxolane-2-carbonyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide

N'-[(2S)-oxolane-2-carbonyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide (PubChem CID 39479957) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N'-[(2S)-oxolane-2-carbonyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[(2S)-oxolane-2-carbonyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
PubChem CID39479957
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN'-[(2S)-oxolane-2-carbonyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
SMILESO=C(NNC(=O)[C@@H]1CCCO1)c1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C18H20N4O3/c23-17(15-10-5-11-25-15)19-20-18(24)16-13-8-4-9-14(13)22(21-16)12-6-2-1-3-7-12/h1-3,6-7,15H,4-5,8-11H2,(H,19,23)(H,20,24)/t15-/m0/s1
InChIKeyOIQYXHUIDKAKLY-HNNXBMFYSA-N
XLogP1.30
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-benzoyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 46682483
5-methyl-N'-(oxolane-2-carbonyl)-1-phenylpyrazole-3-carbohydrazide
CID 60556519
N'-(2-fluorobenzoyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 17421166
N'-(2-methylfuran-3-carbonyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 46680465
N-[3-(oxolan-2-ylmethoxy)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 42950417
1-phenyl-N'-(pyrazine-2-carbonyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 24618570
N-(3,4-dihydro-2H-chromen-4-yl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 55773416
N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbohydrazide
CID 55773047
N-benzyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17492126
2-[(1-phenyl-4,5,6,7-tetrahydroindazole-3-carbonyl)amino]acetic acid
CID 175587571
1-phenyl-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119450844
1-phenyl-N'-pyrimidin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbohydrazide
CID 51119740

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-oxolane-2-carbonyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide?
The IUPAC name of N'-[(2S)-oxolane-2-carbonyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide (CID 39479957) is N'-[(2S)-oxolane-2-carbonyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide.
What is the SMILES notation for N'-[(2S)-oxolane-2-carbonyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide?
The canonical SMILES for N'-[(2S)-oxolane-2-carbonyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide is O=C(NNC(=O)[C@@H]1CCCO1)c1nn(-c2ccccc2)c2c1CCC2.
What is the InChIKey of N'-[(2S)-oxolane-2-carbonyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide?
The InChIKey is OIQYXHUIDKAKLY-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N4O3/c23-17(15-10-5-11-25-15)19-20-18(24)16-13-8-4-9-14(13)22(21-16)12-6-2-1-3-7-12/h1-3,6-7,15H,4-5,8-11H2,(H,19,23)(H,20,24)/t15-/m0/s1.
What are the key properties of N'-[(2S)-oxolane-2-carbonyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide?
N'-[(2S)-oxolane-2-carbonyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide has a molecular weight of 340.38 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-oxolane-2-carbonyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide is sourced from PubChem (CID 39479957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).