1-benzyl-5-ethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide

C25H24N4O4 — CID 78872608

IUPAC1-benzyl-5-ethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide
SMILESCCc1c(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cnn1Cc1ccccc1
InChIInChI=1S/C25H24N4O4/c1-2-22-21(15-26-29(22)16-18-9-5-3-6-10-18)24(30)27-28-25(31)23-14-13-20(33-23)17-32-19-11-7-4-8-12-19/h3-15H,2,16-17H2,1H3,(H,27,30)(H,28,31)
InChIKeyHURQQKNIOKJEGX-UHFFFAOYSA-N
MW444.49 g/mol
LogP3.74
Rot. Bonds8

About 1-benzyl-5-ethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide

1-benzyl-5-ethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide (PubChem CID 78872608) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is 1-benzyl-5-ethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-5-ethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide
PubChem CID78872608
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC Name1-benzyl-5-ethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide
SMILESCCc1c(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cnn1Cc1ccccc1
InChIInChI=1S/C25H24N4O4/c1-2-22-21(15-26-29(22)16-18-9-5-3-6-10-18)24(30)27-28-25(31)23-14-13-20(33-23)17-32-19-11-7-4-8-12-19/h3-15H,2,16-17H2,1H3,(H,27,30)(H,28,31)
InChIKeyHURQQKNIOKJEGX-UHFFFAOYSA-N
XLogP3.74
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-5-ethyl-N-(2-phenoxyethyl)pyrazole-4-carboxamide
CID 78873047
1-benzyl-N'-[2-(3,4-dimethylphenoxy)acetyl]-5-ethylpyrazole-4-carbohydrazide
CID 78872517
N'-[2-(4-ethylphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 26717724
1-(4-chlorophenyl)-N'-[5-(phenoxymethyl)furan-2-carbonyl]-5-propan-2-ylpyrazole-4-carbohydrazide
CID 46671540
N'-[2-(4-ethoxyphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219862
N'-(2-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 4795196
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide
CID 78874188
N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053
1-benzyl-5-ethyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 78873764
methyl N-[4-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]carbamate
CID 78890376
N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 7979169

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-ethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide?
The IUPAC name of 1-benzyl-5-ethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide (CID 78872608) is 1-benzyl-5-ethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide.
What is the SMILES notation for 1-benzyl-5-ethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide?
The canonical SMILES for 1-benzyl-5-ethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide is CCc1c(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-ethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide?
The InChIKey is HURQQKNIOKJEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-2-22-21(15-26-29(22)16-18-9-5-3-6-10-18)24(30)27-28-25(31)23-14-13-20(33-23)17-32-19-11-7-4-8-12-19/h3-15H,2,16-17H2,1H3,(H,27,30)(H,28,31).
What are the key properties of 1-benzyl-5-ethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide?
1-benzyl-5-ethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide has a molecular weight of 444.49 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-ethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide is sourced from PubChem (CID 78872608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).