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

C16H16N6O3 — CID 78901393

IUPACN'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-5-methyl-1H-pyrazole-3-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NNC(=O)c3cc(C)[nH]n3)[nH]n2)cc1
InChIInChI=1S/C16H16N6O3/c1-9-7-13(19-17-9)15(23)21-22-16(24)14-8-12(18-20-14)10-3-5-11(25-2)6-4-10/h3-8H,1-2H3,(H,17,19)(H,18,20)(H,21,23)(H,22,24)
InChIKeyVYQKOVIVEUXWGL-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.19
Rot. Bonds4

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

N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-5-methyl-1H-pyrazole-3-carbohydrazide (PubChem CID 78901393) has the molecular formula C16H16N6O3 and a molecular weight of 340.34 g/mol. Its IUPAC name is N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-5-methyl-1H-pyrazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-5-methyl-1H-pyrazole-3-carbohydrazide
PubChem CID78901393
Molecular FormulaC16H16N6O3
Molecular Weight340.34 g/mol
Exact Mass340.13
IUPAC NameN'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-5-methyl-1H-pyrazole-3-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NNC(=O)c3cc(C)[nH]n3)[nH]n2)cc1
InChIInChI=1S/C16H16N6O3/c1-9-7-13(19-17-9)15(23)21-22-16(24)14-8-12(18-20-14)10-3-5-11(25-2)6-4-10/h3-8H,1-2H3,(H,17,19)(H,18,20)(H,21,23)(H,22,24)
InChIKeyVYQKOVIVEUXWGL-UHFFFAOYSA-N
XLogP1.19
TPSA124.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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]-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide
CID 78870510
N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1-phenylpyrazole-3-carbohydrazide
CID 78868431
3-tert-butyl-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1-methylpyrazole-5-carbohydrazide
CID 78894033
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'-(4-bromo-2-fluorobenzoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 78820177
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
3-(4-methoxyphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 19508725
4-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid
CID 72910598

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-5-methyl-1H-pyrazole-3-carbohydrazide?
The IUPAC name of N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-5-methyl-1H-pyrazole-3-carbohydrazide (CID 78901393) is N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-5-methyl-1H-pyrazole-3-carbohydrazide.
What is the SMILES notation for N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-5-methyl-1H-pyrazole-3-carbohydrazide?
The canonical SMILES for N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-5-methyl-1H-pyrazole-3-carbohydrazide is COc1ccc(-c2cc(C(=O)NNC(=O)c3cc(C)[nH]n3)[nH]n2)cc1.
What is the InChIKey of N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-5-methyl-1H-pyrazole-3-carbohydrazide?
The InChIKey is VYQKOVIVEUXWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3/c1-9-7-13(19-17-9)15(23)21-22-16(24)14-8-12(18-20-14)10-3-5-11(25-2)6-4-10/h3-8H,1-2H3,(H,17,19)(H,18,20)(H,21,23)(H,22,24).
What are the key properties of N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-5-methyl-1H-pyrazole-3-carbohydrazide?
N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-5-methyl-1H-pyrazole-3-carbohydrazide has a molecular weight of 340.34 g/mol, XLogP of 1.19, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-5-methyl-1H-pyrazole-3-carbohydrazide is sourced from PubChem (CID 78901393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).