3-tert-butyl-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1-methylpyrazole-5-carbohydrazide

C20H24N6O3 — CID 78894033

IUPAC3-tert-butyl-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1-methylpyrazole-5-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NNC(=O)c3cc(C(C)(C)C)nn3C)[nH]n2)cc1
InChIInChI=1S/C20H24N6O3/c1-20(2,3)17-11-16(26(4)25-17)19(28)24-23-18(27)15-10-14(21-22-15)12-6-8-13(29-5)9-7-12/h6-11H,1-5H3,(H,21,22)(H,23,27)(H,24,28)
InChIKeyJFLQWWCKQSETIY-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.19
Rot. Bonds4

About 3-tert-butyl-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1-methylpyrazole-5-carbohydrazide

3-tert-butyl-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1-methylpyrazole-5-carbohydrazide (PubChem CID 78894033) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 3-tert-butyl-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1-methylpyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-tert-butyl-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1-methylpyrazole-5-carbohydrazide
PubChem CID78894033
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC Name3-tert-butyl-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1-methylpyrazole-5-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NNC(=O)c3cc(C(C)(C)C)nn3C)[nH]n2)cc1
InChIInChI=1S/C20H24N6O3/c1-20(2,3)17-11-16(26(4)25-17)19(28)24-23-18(27)15-10-14(21-22-15)12-6-8-13(29-5)9-7-12/h6-11H,1-5H3,(H,21,22)(H,23,27)(H,24,28)
InChIKeyJFLQWWCKQSETIY-UHFFFAOYSA-N
XLogP2.19
TPSA113.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-tert-butyl-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1-methylpyrazole-5-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpyrazole-3-carbohydrazide
CID 78904333
N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-5-methyl-1H-pyrazole-3-carbohydrazide
CID 78901393
3-tert-butyl-1-methyl-N'-[2-(4-methylphenoxy)acetyl]pyrazole-5-carbohydrazide
CID 78893331
N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide
CID 78870510
3-tert-butyl-N'-[2-(4-fluorophenoxy)propanoyl]-1-methylpyrazole-5-carbohydrazide
CID 87011046
N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1-phenylpyrazole-3-carbohydrazide
CID 78868431
3-tert-butyl-1-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazole-5-carbohydrazide
CID 87033202
N'-[1-(4-chlorophenyl)ethenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 2068775
N'-[1-(4-aminophenyl)ethenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 2269985
N-(3-hydroxypropyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71569743
3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 70732817
N'-(1-benzofuran-2-carbonyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 78803284

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1-methylpyrazole-5-carbohydrazide?
The IUPAC name of 3-tert-butyl-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1-methylpyrazole-5-carbohydrazide (CID 78894033) is 3-tert-butyl-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1-methylpyrazole-5-carbohydrazide.
What is the SMILES notation for 3-tert-butyl-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1-methylpyrazole-5-carbohydrazide?
The canonical SMILES for 3-tert-butyl-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1-methylpyrazole-5-carbohydrazide is COc1ccc(-c2cc(C(=O)NNC(=O)c3cc(C(C)(C)C)nn3C)[nH]n2)cc1.
What is the InChIKey of 3-tert-butyl-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1-methylpyrazole-5-carbohydrazide?
The InChIKey is JFLQWWCKQSETIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-20(2,3)17-11-16(26(4)25-17)19(28)24-23-18(27)15-10-14(21-22-15)12-6-8-13(29-5)9-7-12/h6-11H,1-5H3,(H,21,22)(H,23,27)(H,24,28).
What are the key properties of 3-tert-butyl-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1-methylpyrazole-5-carbohydrazide?
3-tert-butyl-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1-methylpyrazole-5-carbohydrazide has a molecular weight of 396.45 g/mol, XLogP of 2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1-methylpyrazole-5-carbohydrazide is sourced from PubChem (CID 78894033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).