1-benzyl-5-ethyl-N'-(oxolane-2-carbonyl)pyrazole-4-carbohydrazide

C18H22N4O3 — CID 78873658

IUPAC1-benzyl-5-ethyl-N'-(oxolane-2-carbonyl)pyrazole-4-carbohydrazide
SMILESCCc1c(C(=O)NNC(=O)C2CCCO2)cnn1Cc1ccccc1
InChIInChI=1S/C18H22N4O3/c1-2-15-14(11-19-22(15)12-13-7-4-3-5-8-13)17(23)20-21-18(24)16-9-6-10-25-16/h3-5,7-8,11,16H,2,6,9-10,12H2,1H3,(H,20,23)(H,21,24)
InChIKeyABLRDUFUAUFWSY-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.43
Rot. Bonds5

About 1-benzyl-5-ethyl-N'-(oxolane-2-carbonyl)pyrazole-4-carbohydrazide

1-benzyl-5-ethyl-N'-(oxolane-2-carbonyl)pyrazole-4-carbohydrazide (PubChem CID 78873658) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-benzyl-5-ethyl-N'-(oxolane-2-carbonyl)pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-5-ethyl-N'-(oxolane-2-carbonyl)pyrazole-4-carbohydrazide
PubChem CID78873658
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-benzyl-5-ethyl-N'-(oxolane-2-carbonyl)pyrazole-4-carbohydrazide
SMILESCCc1c(C(=O)NNC(=O)C2CCCO2)cnn1Cc1ccccc1
InChIInChI=1S/C18H22N4O3/c1-2-15-14(11-19-22(15)12-13-7-4-3-5-8-13)17(23)20-21-18(24)16-9-6-10-25-16/h3-5,7-8,11,16H,2,6,9-10,12H2,1H3,(H,20,23)(H,21,24)
InChIKeyABLRDUFUAUFWSY-UHFFFAOYSA-N
XLogP1.43
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.43
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

1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide
CID 78874188
1-benzyl-5-ethyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide
CID 78872899
1-benzyl-5-ethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide
CID 78872608
1-benzyl-N-(3,4-dihydro-2H-chromen-4-yl)-5-ethylpyrazole-4-carboxamide
CID 78872570
(1-benzyl-5-ethylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone
CID 78873214
N'-(4-ethylbenzoyl)oxolane-2-carbohydrazide
CID 47099547
N'-(2-methylbenzoyl)oxolane-2-carbohydrazide
CID 51164592
(2S)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide
CID 35278282
N-(1-adamantyl)-1-benzyl-5-ethylpyrazole-4-carboxamide
CID 78873962
1-(1-benzyl-5-ethylpyrazole-4-carbonyl)-N-ethylpiperidine-4-carboxamide
CID 78905352
1-benzyl-N-(2,3-dihydro-1H-inden-1-yl)-5-ethylpyrazole-4-carboxamide
CID 78873081
1-benzyl-5-ethyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 78873764

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-ethyl-N'-(oxolane-2-carbonyl)pyrazole-4-carbohydrazide?
The IUPAC name of 1-benzyl-5-ethyl-N'-(oxolane-2-carbonyl)pyrazole-4-carbohydrazide (CID 78873658) is 1-benzyl-5-ethyl-N'-(oxolane-2-carbonyl)pyrazole-4-carbohydrazide.
What is the SMILES notation for 1-benzyl-5-ethyl-N'-(oxolane-2-carbonyl)pyrazole-4-carbohydrazide?
The canonical SMILES for 1-benzyl-5-ethyl-N'-(oxolane-2-carbonyl)pyrazole-4-carbohydrazide is CCc1c(C(=O)NNC(=O)C2CCCO2)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-ethyl-N'-(oxolane-2-carbonyl)pyrazole-4-carbohydrazide?
The InChIKey is ABLRDUFUAUFWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-2-15-14(11-19-22(15)12-13-7-4-3-5-8-13)17(23)20-21-18(24)16-9-6-10-25-16/h3-5,7-8,11,16H,2,6,9-10,12H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 1-benzyl-5-ethyl-N'-(oxolane-2-carbonyl)pyrazole-4-carbohydrazide?
1-benzyl-5-ethyl-N'-(oxolane-2-carbonyl)pyrazole-4-carbohydrazide has a molecular weight of 342.40 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-ethyl-N'-(oxolane-2-carbonyl)pyrazole-4-carbohydrazide is sourced from PubChem (CID 78873658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).