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

C19H18N4O3 — CID 46680465

IUPACN'-(2-methylfuran-3-carbonyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)c1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C19H18N4O3/c1-12-14(10-11-26-12)18(24)20-21-19(25)17-15-8-5-9-16(15)23(22-17)13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,20,24)(H,21,25)
InChIKeySEVJRPGZDOUKFH-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.34
Rot. Bonds3

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

N'-(2-methylfuran-3-carbonyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide (PubChem CID 46680465) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N'-(2-methylfuran-3-carbonyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-methylfuran-3-carbonyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
PubChem CID46680465
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN'-(2-methylfuran-3-carbonyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)c1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C19H18N4O3/c1-12-14(10-11-26-12)18(24)20-21-19(25)17-15-8-5-9-16(15)23(22-17)13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,20,24)(H,21,25)
InChIKeySEVJRPGZDOUKFH-UHFFFAOYSA-N
XLogP2.34
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.34
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
N'-(2-fluorobenzoyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 17421166
N'-[(2S)-oxolane-2-carbonyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 39479957
1-phenyl-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 110374225
1-phenyl-N'-(pyrazine-2-carbonyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 24618570
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
N-[1-(2-methylphenyl)ethyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 42929738
N-(3-methoxypropyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 30098859
1-phenyl-N'-pyrimidin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbohydrazide
CID 51119740
N-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 167753412
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 46680843

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylfuran-3-carbonyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide?
The IUPAC name of N'-(2-methylfuran-3-carbonyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide (CID 46680465) is N'-(2-methylfuran-3-carbonyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide.
What is the SMILES notation for N'-(2-methylfuran-3-carbonyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide?
The canonical SMILES for N'-(2-methylfuran-3-carbonyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide is Cc1occc1C(=O)NNC(=O)c1nn(-c2ccccc2)c2c1CCC2.
What is the InChIKey of N'-(2-methylfuran-3-carbonyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide?
The InChIKey is SEVJRPGZDOUKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-12-14(10-11-26-12)18(24)20-21-19(25)17-15-8-5-9-16(15)23(22-17)13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,20,24)(H,21,25).
What are the key properties of N'-(2-methylfuran-3-carbonyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide?
N'-(2-methylfuran-3-carbonyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide has a molecular weight of 350.38 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylfuran-3-carbonyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide is sourced from PubChem (CID 46680465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).