N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-4-ethoxybenzohydrazide

C21H30N4O3 — CID 9086483

IUPACN'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-4-ethoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)CCc2c(C)nn(CC(C)C)c2C)cc1
InChIInChI=1S/C21H30N4O3/c1-6-28-18-9-7-17(8-10-18)21(27)23-22-20(26)12-11-19-15(4)24-25(16(19)5)13-14(2)3/h7-10,14H,6,11-13H2,1-5H3,(H,22,26)(H,23,27)
InChIKeyQSEHOMDBQBSDCE-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.95
Rot. Bonds8

About N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-4-ethoxybenzohydrazide

N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-4-ethoxybenzohydrazide (PubChem CID 9086483) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-4-ethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-4-ethoxybenzohydrazide
PubChem CID9086483
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC NameN'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-4-ethoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)CCc2c(C)nn(CC(C)C)c2C)cc1
InChIInChI=1S/C21H30N4O3/c1-6-28-18-9-7-17(8-10-18)21(27)23-22-20(26)12-11-19-15(4)24-25(16(19)5)13-14(2)3/h7-10,14H,6,11-13H2,1-5H3,(H,22,26)(H,23,27)
InChIKeyQSEHOMDBQBSDCE-UHFFFAOYSA-N
XLogP2.95
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.95
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'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-4-fluorobenzohydrazide
CID 46664095
(2S)-N'-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-2-(4-ethoxyphenoxy)propanehydrazide
CID 9088700
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide
CID 37358059
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 30548586
4-[(4-chlorophenoxy)methyl]-N'-[3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanoyl]benzohydrazide
CID 46634737
N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 46651465
ethyl 4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutanoate
CID 9086442
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-ethylpiperidin-4-yl)propanamide
CID 36813556
4-[[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide
CID 56510894
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(2,6-dimethylphenoxy)ethyl]propanamide
CID 55716936
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 43035284
[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl] 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoate
CID 86956368

Frequently Asked Questions

What is the IUPAC name of N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-4-ethoxybenzohydrazide?
The IUPAC name of N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-4-ethoxybenzohydrazide (CID 9086483) is N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-4-ethoxybenzohydrazide.
What is the SMILES notation for N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-4-ethoxybenzohydrazide?
The canonical SMILES for N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-4-ethoxybenzohydrazide is CCOc1ccc(C(=O)NNC(=O)CCc2c(C)nn(CC(C)C)c2C)cc1.
What is the InChIKey of N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-4-ethoxybenzohydrazide?
The InChIKey is QSEHOMDBQBSDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-6-28-18-9-7-17(8-10-18)21(27)23-22-20(26)12-11-19-15(4)24-25(16(19)5)13-14(2)3/h7-10,14H,6,11-13H2,1-5H3,(H,22,26)(H,23,27).
What are the key properties of N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-4-ethoxybenzohydrazide?
N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-4-ethoxybenzohydrazide has a molecular weight of 386.50 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-4-ethoxybenzohydrazide is sourced from PubChem (CID 9086483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).