N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpyrazole-3-carbohydrazide

C17H18N6O3 — CID 78904333

IUPACN'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpyrazole-3-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NNC(=O)c3cc(C)nn3C)[nH]n2)cc1
InChIInChI=1S/C17H18N6O3/c1-10-8-15(23(2)22-10)17(25)21-20-16(24)14-9-13(18-19-14)11-4-6-12(26-3)7-5-11/h4-9H,1-3H3,(H,18,19)(H,20,24)(H,21,25)
InChIKeyFKPZYEZSANKZQE-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.20
Rot. Bonds4

About N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpyrazole-3-carbohydrazide

N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpyrazole-3-carbohydrazide (PubChem CID 78904333) has the molecular formula C17H18N6O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpyrazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpyrazole-3-carbohydrazide
PubChem CID78904333
Molecular FormulaC17H18N6O3
Molecular Weight354.37 g/mol
Exact Mass354.14
IUPAC NameN'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpyrazole-3-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NNC(=O)c3cc(C)nn3C)[nH]n2)cc1
InChIInChI=1S/C17H18N6O3/c1-10-8-15(23(2)22-10)17(25)21-20-16(24)14-9-13(18-19-14)11-4-6-12(26-3)7-5-11/h4-9H,1-3H3,(H,18,19)(H,20,24)(H,21,25)
InChIKeyFKPZYEZSANKZQE-UHFFFAOYSA-N
XLogP1.20
TPSA113.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-tert-butyl-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1-methylpyrazole-5-carbohydrazide
CID 78894033
N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-5-methyl-1H-pyrazole-3-carbohydrazide
CID 78901393
N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide
CID 78870510
N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1-phenylpyrazole-3-carbohydrazide
CID 78868431
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
N'-(1-benzofuran-2-carbonyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 78803284
N'-(2-cyclopentylacetyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 78803224
N'-(4-bromo-2-fluorobenzoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 78820177
N'-(3-indol-1-ylpropanoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 78816707
N'-[4-(imidazol-1-ylmethyl)benzoyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 78876010

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpyrazole-3-carbohydrazide?
The IUPAC name of N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpyrazole-3-carbohydrazide (CID 78904333) is N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpyrazole-3-carbohydrazide.
What is the SMILES notation for N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpyrazole-3-carbohydrazide?
The canonical SMILES for N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpyrazole-3-carbohydrazide is COc1ccc(-c2cc(C(=O)NNC(=O)c3cc(C)nn3C)[nH]n2)cc1.
What is the InChIKey of N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpyrazole-3-carbohydrazide?
The InChIKey is FKPZYEZSANKZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3/c1-10-8-15(23(2)22-10)17(25)21-20-16(24)14-9-13(18-19-14)11-4-6-12(26-3)7-5-11/h4-9H,1-3H3,(H,18,19)(H,20,24)(H,21,25).
What are the key properties of N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpyrazole-3-carbohydrazide?
N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpyrazole-3-carbohydrazide has a molecular weight of 354.37 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpyrazole-3-carbohydrazide is sourced from PubChem (CID 78904333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).