N'-[4-(5-methylpyrazol-1-yl)benzoyl]-1,3-benzodioxole-5-carbohydrazide

C19H16N4O4 — CID 9273977

IUPACN'-[4-(5-methylpyrazol-1-yl)benzoyl]-1,3-benzodioxole-5-carbohydrazide
SMILESCc1ccnn1-c1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H16N4O4/c1-12-8-9-20-23(12)15-5-2-13(3-6-15)18(24)21-22-19(25)14-4-7-16-17(10-14)27-11-26-16/h2-10H,11H2,1H3,(H,21,24)(H,22,25)
InChIKeyVDCPOCDZCJGUJS-UHFFFAOYSA-N
MW364.36 g/mol
LogP1.98
Rot. Bonds3

About N'-[4-(5-methylpyrazol-1-yl)benzoyl]-1,3-benzodioxole-5-carbohydrazide

N'-[4-(5-methylpyrazol-1-yl)benzoyl]-1,3-benzodioxole-5-carbohydrazide (PubChem CID 9273977) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is N'-[4-(5-methylpyrazol-1-yl)benzoyl]-1,3-benzodioxole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(5-methylpyrazol-1-yl)benzoyl]-1,3-benzodioxole-5-carbohydrazide
PubChem CID9273977
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC NameN'-[4-(5-methylpyrazol-1-yl)benzoyl]-1,3-benzodioxole-5-carbohydrazide
SMILESCc1ccnn1-c1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H16N4O4/c1-12-8-9-20-23(12)15-5-2-13(3-6-15)18(24)21-22-19(25)14-4-7-16-17(10-14)27-11-26-16/h2-10H,11H2,1H3,(H,21,24)(H,22,25)
InChIKeyVDCPOCDZCJGUJS-UHFFFAOYSA-N
XLogP1.98
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
N,N-dimethyl-3-[[[4-(5-methylpyrazol-1-yl)benzoyl]amino]carbamoyl]benzenesulfonamide
CID 34029254
[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate
CID 8553397
N-[2-(dimethylamino)-2-oxoethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 9481086
4-(5-methylpyrazol-1-yl)benzoic acid
CID 4962781
(1,3-benzodioxole-5-carbonylamino)thiourea
CID 12654315
N'-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]-1,3-benzodioxole-5-carbohydrazide
CID 9020933
N'-(1,3-benzodioxole-5-carbonyl)pyrazine-2-carbohydrazide
CID 17388270
N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 18565618
5-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]-2-methylbenzenesulfonamide
CID 9084706
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 8938195
N'-[4-(difluoromethoxy)benzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 43002109

Frequently Asked Questions

What is the IUPAC name of N'-[4-(5-methylpyrazol-1-yl)benzoyl]-1,3-benzodioxole-5-carbohydrazide?
The IUPAC name of N'-[4-(5-methylpyrazol-1-yl)benzoyl]-1,3-benzodioxole-5-carbohydrazide (CID 9273977) is N'-[4-(5-methylpyrazol-1-yl)benzoyl]-1,3-benzodioxole-5-carbohydrazide.
What is the SMILES notation for N'-[4-(5-methylpyrazol-1-yl)benzoyl]-1,3-benzodioxole-5-carbohydrazide?
The canonical SMILES for N'-[4-(5-methylpyrazol-1-yl)benzoyl]-1,3-benzodioxole-5-carbohydrazide is Cc1ccnn1-c1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N'-[4-(5-methylpyrazol-1-yl)benzoyl]-1,3-benzodioxole-5-carbohydrazide?
The InChIKey is VDCPOCDZCJGUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/c1-12-8-9-20-23(12)15-5-2-13(3-6-15)18(24)21-22-19(25)14-4-7-16-17(10-14)27-11-26-16/h2-10H,11H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N'-[4-(5-methylpyrazol-1-yl)benzoyl]-1,3-benzodioxole-5-carbohydrazide?
N'-[4-(5-methylpyrazol-1-yl)benzoyl]-1,3-benzodioxole-5-carbohydrazide has a molecular weight of 364.36 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(5-methylpyrazol-1-yl)benzoyl]-1,3-benzodioxole-5-carbohydrazide is sourced from PubChem (CID 9273977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).