5-ethyl-N'-[2-(4-methylphenoxy)acetyl]-1-pyridin-2-ylpyrazole-4-carbohydrazide

C20H21N5O3 — CID 78867900

IUPAC5-ethyl-N'-[2-(4-methylphenoxy)acetyl]-1-pyridin-2-ylpyrazole-4-carbohydrazide
SMILESCCc1c(C(=O)NNC(=O)COc2ccc(C)cc2)cnn1-c1ccccn1
InChIInChI=1S/C20H21N5O3/c1-3-17-16(12-22-25(17)18-6-4-5-11-21-18)20(27)24-23-19(26)13-28-15-9-7-14(2)8-10-15/h4-12H,3,13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyUSPSTWPESIOSRC-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.98
Rot. Bonds6

About 5-ethyl-N'-[2-(4-methylphenoxy)acetyl]-1-pyridin-2-ylpyrazole-4-carbohydrazide

5-ethyl-N'-[2-(4-methylphenoxy)acetyl]-1-pyridin-2-ylpyrazole-4-carbohydrazide (PubChem CID 78867900) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 5-ethyl-N'-[2-(4-methylphenoxy)acetyl]-1-pyridin-2-ylpyrazole-4-carbohydrazide.

Molecular Properties

Compound Name5-ethyl-N'-[2-(4-methylphenoxy)acetyl]-1-pyridin-2-ylpyrazole-4-carbohydrazide
PubChem CID78867900
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name5-ethyl-N'-[2-(4-methylphenoxy)acetyl]-1-pyridin-2-ylpyrazole-4-carbohydrazide
SMILESCCc1c(C(=O)NNC(=O)COc2ccc(C)cc2)cnn1-c1ccccn1
InChIInChI=1S/C20H21N5O3/c1-3-17-16(12-22-25(17)18-6-4-5-11-21-18)20(27)24-23-19(26)13-28-15-9-7-14(2)8-10-15/h4-12H,3,13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyUSPSTWPESIOSRC-UHFFFAOYSA-N
XLogP1.98
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.98
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

ethyl 2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 15944198
5-ethyl-N-(2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944173
5-ethyl-N-[3-(methylamino)propyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 119433437
5-ethyl-N-(3-hydroxyphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 91885720
5-ethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 95286190
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55945165
4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 119352538
N'-benzoyl-5-ethyl-1-(4-methylphenyl)pyrazole-4-carbohydrazide
CID 46582435
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 87043673
5-ethyl-N-(5-fluoro-2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 91885724
1-[4-(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56522038
propan-2-yl 4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 91885717

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N'-[2-(4-methylphenoxy)acetyl]-1-pyridin-2-ylpyrazole-4-carbohydrazide?
The IUPAC name of 5-ethyl-N'-[2-(4-methylphenoxy)acetyl]-1-pyridin-2-ylpyrazole-4-carbohydrazide (CID 78867900) is 5-ethyl-N'-[2-(4-methylphenoxy)acetyl]-1-pyridin-2-ylpyrazole-4-carbohydrazide.
What is the SMILES notation for 5-ethyl-N'-[2-(4-methylphenoxy)acetyl]-1-pyridin-2-ylpyrazole-4-carbohydrazide?
The canonical SMILES for 5-ethyl-N'-[2-(4-methylphenoxy)acetyl]-1-pyridin-2-ylpyrazole-4-carbohydrazide is CCc1c(C(=O)NNC(=O)COc2ccc(C)cc2)cnn1-c1ccccn1.
What is the InChIKey of 5-ethyl-N'-[2-(4-methylphenoxy)acetyl]-1-pyridin-2-ylpyrazole-4-carbohydrazide?
The InChIKey is USPSTWPESIOSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-3-17-16(12-22-25(17)18-6-4-5-11-21-18)20(27)24-23-19(26)13-28-15-9-7-14(2)8-10-15/h4-12H,3,13H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 5-ethyl-N'-[2-(4-methylphenoxy)acetyl]-1-pyridin-2-ylpyrazole-4-carbohydrazide?
5-ethyl-N'-[2-(4-methylphenoxy)acetyl]-1-pyridin-2-ylpyrazole-4-carbohydrazide has a molecular weight of 379.42 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N'-[2-(4-methylphenoxy)acetyl]-1-pyridin-2-ylpyrazole-4-carbohydrazide is sourced from PubChem (CID 78867900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).