5-methyl-3-[1-(4-phenylphenoxy)ethyl]-1H-pyrazole-4-carbohydrazide

C19H20N4O2 — CID 54851249

IUPAC5-methyl-3-[1-(4-phenylphenoxy)ethyl]-1H-pyrazole-4-carbohydrazide
SMILESCc1[nH]nc(C(C)Oc2ccc(-c3ccccc3)cc2)c1C(=O)NN
InChIInChI=1S/C19H20N4O2/c1-12-17(19(24)21-20)18(23-22-12)13(2)25-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13H,20H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyHTGMYFRNPJGZQO-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.13
Rot. Bonds5

About 5-methyl-3-[1-(4-phenylphenoxy)ethyl]-1H-pyrazole-4-carbohydrazide

5-methyl-3-[1-(4-phenylphenoxy)ethyl]-1H-pyrazole-4-carbohydrazide (PubChem CID 54851249) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-methyl-3-[1-(4-phenylphenoxy)ethyl]-1H-pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name5-methyl-3-[1-(4-phenylphenoxy)ethyl]-1H-pyrazole-4-carbohydrazide
PubChem CID54851249
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name5-methyl-3-[1-(4-phenylphenoxy)ethyl]-1H-pyrazole-4-carbohydrazide
SMILESCc1[nH]nc(C(C)Oc2ccc(-c3ccccc3)cc2)c1C(=O)NN
InChIInChI=1S/C19H20N4O2/c1-12-17(19(24)21-20)18(23-22-12)13(2)25-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13H,20H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyHTGMYFRNPJGZQO-UHFFFAOYSA-N
XLogP3.13
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-benzhydryl-5-methyl-1H-pyrazole-4-carbohydrazide
CID 54851741
ethyl 2-(4-phenylphenoxy)propanoate
CID 10956576
methyl (2R)-2-(4-phenylphenoxy)propanoate
CID 7085245
5-[1-(4-phenylphenoxy)ethyl]-2H-tetrazole
CID 123240955
2-amino-4-(4-butan-2-yloxyphenyl)-6-methylpyrimidine-5-carbohydrazide
CID 54850729
3,5-dimethyl-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide
CID 43583048
3-(2-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide
CID 54851501
2-methyl-6-(4-propan-2-yloxyphenyl)pyridine-3-carbohydrazide
CID 82453181
2-[4-(4-methylphenyl)phenoxy]propanehydrazide
CID 63568542
4-methyl-3-(4-phenylphenoxy)hexan-2-one
CID 67565039
2-amino-4-methyl-6-[1-(4-phenylphenoxy)propyl]pyrimidine-5-carboxylic acid
CID 54850950
2,4,6-trimethyl-3,5-diphenylbenzohydrazide
CID 150299746

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[1-(4-phenylphenoxy)ethyl]-1H-pyrazole-4-carbohydrazide?
The IUPAC name of 5-methyl-3-[1-(4-phenylphenoxy)ethyl]-1H-pyrazole-4-carbohydrazide (CID 54851249) is 5-methyl-3-[1-(4-phenylphenoxy)ethyl]-1H-pyrazole-4-carbohydrazide.
What is the SMILES notation for 5-methyl-3-[1-(4-phenylphenoxy)ethyl]-1H-pyrazole-4-carbohydrazide?
The canonical SMILES for 5-methyl-3-[1-(4-phenylphenoxy)ethyl]-1H-pyrazole-4-carbohydrazide is Cc1[nH]nc(C(C)Oc2ccc(-c3ccccc3)cc2)c1C(=O)NN.
What is the InChIKey of 5-methyl-3-[1-(4-phenylphenoxy)ethyl]-1H-pyrazole-4-carbohydrazide?
The InChIKey is HTGMYFRNPJGZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-17(19(24)21-20)18(23-22-12)13(2)25-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13H,20H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 5-methyl-3-[1-(4-phenylphenoxy)ethyl]-1H-pyrazole-4-carbohydrazide?
5-methyl-3-[1-(4-phenylphenoxy)ethyl]-1H-pyrazole-4-carbohydrazide has a molecular weight of 336.40 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[1-(4-phenylphenoxy)ethyl]-1H-pyrazole-4-carbohydrazide is sourced from PubChem (CID 54851249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).