N'-[2-(4-tert-butylphenoxy)acetyl]-5-methyl-1H-pyrazole-3-carbohydrazide

C17H22N4O3 — CID 3321462

IUPACN'-[2-(4-tert-butylphenoxy)acetyl]-5-methyl-1H-pyrazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)n[nH]1
InChIInChI=1S/C17H22N4O3/c1-11-9-14(19-18-11)16(23)21-20-15(22)10-24-13-7-5-12(6-8-13)17(2,3)4/h5-9H,10H2,1-4H3,(H,18,19)(H,20,22)(H,21,23)
InChIKeyNCHCYCXAJCUBAS-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.86
Rot. Bonds4

About N'-[2-(4-tert-butylphenoxy)acetyl]-5-methyl-1H-pyrazole-3-carbohydrazide

N'-[2-(4-tert-butylphenoxy)acetyl]-5-methyl-1H-pyrazole-3-carbohydrazide (PubChem CID 3321462) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N'-[2-(4-tert-butylphenoxy)acetyl]-5-methyl-1H-pyrazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-tert-butylphenoxy)acetyl]-5-methyl-1H-pyrazole-3-carbohydrazide
PubChem CID3321462
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN'-[2-(4-tert-butylphenoxy)acetyl]-5-methyl-1H-pyrazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)n[nH]1
InChIInChI=1S/C17H22N4O3/c1-11-9-14(19-18-11)16(23)21-20-15(22)10-24-13-7-5-12(6-8-13)17(2,3)4/h5-9H,10H2,1-4H3,(H,18,19)(H,20,22)(H,21,23)
InChIKeyNCHCYCXAJCUBAS-UHFFFAOYSA-N
XLogP1.86
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-tert-butylphenoxy)-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]acetamide
CID 5170367
2-(4-tert-butylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 86992670
4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide
CID 3311747
N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]-2-(4-nitrophenoxy)acetamide
CID 4509369
5-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1H-pyrazole-3-carbohydrazide
CID 60520861
1-N',6-N'-bis[2-(4-tert-butylphenoxy)acetyl]hexanedihydrazide
CID 3322788
2-(4-tert-butylphenoxy)-N'-methylacetohydrazide
CID 116820676
2-(4-tert-butylphenoxy)-N'-[2-(2,4-dimethylphenoxy)acetyl]acetohydrazide
CID 4945068
N'-[2-(4-tert-butylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide
CID 4945083
N-[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamodithioate
CID 135590483
2-(4-tert-butylphenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 802579
N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-5-methyl-1H-pyrazole-3-carbohydrazide
CID 78901393

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-tert-butylphenoxy)acetyl]-5-methyl-1H-pyrazole-3-carbohydrazide?
The IUPAC name of N'-[2-(4-tert-butylphenoxy)acetyl]-5-methyl-1H-pyrazole-3-carbohydrazide (CID 3321462) is N'-[2-(4-tert-butylphenoxy)acetyl]-5-methyl-1H-pyrazole-3-carbohydrazide.
What is the SMILES notation for N'-[2-(4-tert-butylphenoxy)acetyl]-5-methyl-1H-pyrazole-3-carbohydrazide?
The canonical SMILES for N'-[2-(4-tert-butylphenoxy)acetyl]-5-methyl-1H-pyrazole-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)n[nH]1.
What is the InChIKey of N'-[2-(4-tert-butylphenoxy)acetyl]-5-methyl-1H-pyrazole-3-carbohydrazide?
The InChIKey is NCHCYCXAJCUBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11-9-14(19-18-11)16(23)21-20-15(22)10-24-13-7-5-12(6-8-13)17(2,3)4/h5-9H,10H2,1-4H3,(H,18,19)(H,20,22)(H,21,23).
What are the key properties of N'-[2-(4-tert-butylphenoxy)acetyl]-5-methyl-1H-pyrazole-3-carbohydrazide?
N'-[2-(4-tert-butylphenoxy)acetyl]-5-methyl-1H-pyrazole-3-carbohydrazide has a molecular weight of 330.39 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-tert-butylphenoxy)acetyl]-5-methyl-1H-pyrazole-3-carbohydrazide is sourced from PubChem (CID 3321462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).