1-tert-butyl-5-cyclopropyl-N'-[2-(2-ethoxyphenoxy)acetyl]pyrazole-3-carbohydrazide

C21H28N4O4 — CID 55834300

IUPAC1-tert-butyl-5-cyclopropyl-N'-[2-(2-ethoxyphenoxy)acetyl]pyrazole-3-carbohydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)c1cc(C2CC2)n(C(C)(C)C)n1
InChIInChI=1S/C21H28N4O4/c1-5-28-17-8-6-7-9-18(17)29-13-19(26)22-23-20(27)15-12-16(14-10-11-14)25(24-15)21(2,3)4/h6-9,12,14H,5,10-11,13H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyAEXYZWWSIYKFIZ-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.75
Rot. Bonds7

About 1-tert-butyl-5-cyclopropyl-N'-[2-(2-ethoxyphenoxy)acetyl]pyrazole-3-carbohydrazide

1-tert-butyl-5-cyclopropyl-N'-[2-(2-ethoxyphenoxy)acetyl]pyrazole-3-carbohydrazide (PubChem CID 55834300) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-tert-butyl-5-cyclopropyl-N'-[2-(2-ethoxyphenoxy)acetyl]pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name1-tert-butyl-5-cyclopropyl-N'-[2-(2-ethoxyphenoxy)acetyl]pyrazole-3-carbohydrazide
PubChem CID55834300
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Name1-tert-butyl-5-cyclopropyl-N'-[2-(2-ethoxyphenoxy)acetyl]pyrazole-3-carbohydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)c1cc(C2CC2)n(C(C)(C)C)n1
InChIInChI=1S/C21H28N4O4/c1-5-28-17-8-6-7-9-18(17)29-13-19(26)22-23-20(27)15-12-16(14-10-11-14)25(24-15)21(2,3)4/h6-9,12,14H,5,10-11,13H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyAEXYZWWSIYKFIZ-UHFFFAOYSA-N
XLogP2.75
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.75
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

N-(4-aminocyclohexyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
CID 119474690
3-amino-N'-[2-(2-ethoxyphenoxy)acetyl]pyrazine-2-carbohydrazide
CID 29416681
3,4-dichloro-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide
CID 2091621
5-cyclopropyl-1-(2-ethoxyphenyl)pyrazole-3-carboxylic acid
CID 82361939
2-(2-ethoxyphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82726093
5-bromo-N'-[2-(2-ethoxyphenoxy)acetyl]pyridine-3-carbohydrazide
CID 18159243
N-[2-(aminomethyl)cyclopentyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
CID 119600843
(3,4-dimethoxyphenyl)methyl 1-tert-butyl-5-cyclopropylpyrazole-3-carboxylate
CID 94583065
N'-[2-(2-ethoxyphenoxy)acetyl]-2-methoxybenzohydrazide
CID 18159247
N'-[2-(2-ethoxyphenoxy)acetyl]-4-methylbenzohydrazide
CID 7918380
N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dimethylbenzohydrazide
CID 2102668
N'-[2-(2-ethoxyphenoxy)acetyl]-2-iodobenzohydrazide
CID 55334001

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-cyclopropyl-N'-[2-(2-ethoxyphenoxy)acetyl]pyrazole-3-carbohydrazide?
The IUPAC name of 1-tert-butyl-5-cyclopropyl-N'-[2-(2-ethoxyphenoxy)acetyl]pyrazole-3-carbohydrazide (CID 55834300) is 1-tert-butyl-5-cyclopropyl-N'-[2-(2-ethoxyphenoxy)acetyl]pyrazole-3-carbohydrazide.
What is the SMILES notation for 1-tert-butyl-5-cyclopropyl-N'-[2-(2-ethoxyphenoxy)acetyl]pyrazole-3-carbohydrazide?
The canonical SMILES for 1-tert-butyl-5-cyclopropyl-N'-[2-(2-ethoxyphenoxy)acetyl]pyrazole-3-carbohydrazide is CCOc1ccccc1OCC(=O)NNC(=O)c1cc(C2CC2)n(C(C)(C)C)n1.
What is the InChIKey of 1-tert-butyl-5-cyclopropyl-N'-[2-(2-ethoxyphenoxy)acetyl]pyrazole-3-carbohydrazide?
The InChIKey is AEXYZWWSIYKFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-5-28-17-8-6-7-9-18(17)29-13-19(26)22-23-20(27)15-12-16(14-10-11-14)25(24-15)21(2,3)4/h6-9,12,14H,5,10-11,13H2,1-4H3,(H,22,26)(H,23,27).
What are the key properties of 1-tert-butyl-5-cyclopropyl-N'-[2-(2-ethoxyphenoxy)acetyl]pyrazole-3-carbohydrazide?
1-tert-butyl-5-cyclopropyl-N'-[2-(2-ethoxyphenoxy)acetyl]pyrazole-3-carbohydrazide has a molecular weight of 400.48 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-cyclopropyl-N'-[2-(2-ethoxyphenoxy)acetyl]pyrazole-3-carbohydrazide is sourced from PubChem (CID 55834300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).