N'-(4-amino-3-nitrobenzoyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide

C17H14N6O5 — CID 46657614

IUPACN'-(4-amino-3-nitrobenzoyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
SMILESNc1ccc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cc1[N+](=O)[O-]
InChIInChI=1S/C17H14N6O5/c18-12-7-6-10(8-13(12)23(27)28)16(25)19-20-17(26)15-14(24)9-22(21-15)11-4-2-1-3-5-11/h1-9,24H,18H2,(H,19,25)(H,20,26)
InChIKeyVMLCLRIFVPYCBW-UHFFFAOYSA-N
MW382.34 g/mol
LogP1.14
Rot. Bonds4

About N'-(4-amino-3-nitrobenzoyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide

N'-(4-amino-3-nitrobenzoyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide (PubChem CID 46657614) has the molecular formula C17H14N6O5 and a molecular weight of 382.34 g/mol. Its IUPAC name is N'-(4-amino-3-nitrobenzoyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-amino-3-nitrobenzoyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
PubChem CID46657614
Molecular FormulaC17H14N6O5
Molecular Weight382.34 g/mol
Exact Mass382.10
IUPAC NameN'-(4-amino-3-nitrobenzoyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
SMILESNc1ccc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cc1[N+](=O)[O-]
InChIInChI=1S/C17H14N6O5/c18-12-7-6-10(8-13(12)23(27)28)16(25)19-20-17(26)15-14(24)9-22(21-15)11-4-2-1-3-5-11/h1-9,24H,18H2,(H,19,25)(H,20,26)
InChIKeyVMLCLRIFVPYCBW-UHFFFAOYSA-N
XLogP1.14
TPSA165.41 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-(1,3-benzodioxole-5-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 17419223
4-hydroxy-1-phenyl-N'-(thiophene-3-carbonyl)pyrazole-3-carbohydrazide
CID 9452480
N-[3-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide
CID 46657379
4-hydroxy-1-phenyl-N'-(4-prop-2-enoxybenzoyl)pyrazole-3-carbohydrazide
CID 46578325
N'-[4-(1,3-dithian-2-yl)benzoyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 46657592
1-(4-nitro-1-phenylpyrazol-3-yl)ethanone
CID 58234886
N-[3-(aminomethyl)pentan-3-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 119568712
4-hydroxy-N'-pentanoyl-1-phenylpyrazole-3-carbohydrazide
CID 17478623
N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 55369983
4-amino-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95239356
N'-(4-amino-3-nitrobenzoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 24980654
N'-[2-(4-chlorophenyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 17483063

Frequently Asked Questions

What is the IUPAC name of N'-(4-amino-3-nitrobenzoyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide?
The IUPAC name of N'-(4-amino-3-nitrobenzoyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide (CID 46657614) is N'-(4-amino-3-nitrobenzoyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide.
What is the SMILES notation for N'-(4-amino-3-nitrobenzoyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide?
The canonical SMILES for N'-(4-amino-3-nitrobenzoyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide is Nc1ccc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cc1[N+](=O)[O-].
What is the InChIKey of N'-(4-amino-3-nitrobenzoyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide?
The InChIKey is VMLCLRIFVPYCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O5/c18-12-7-6-10(8-13(12)23(27)28)16(25)19-20-17(26)15-14(24)9-22(21-15)11-4-2-1-3-5-11/h1-9,24H,18H2,(H,19,25)(H,20,26).
What are the key properties of N'-(4-amino-3-nitrobenzoyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide?
N'-(4-amino-3-nitrobenzoyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide has a molecular weight of 382.34 g/mol, XLogP of 1.14, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-amino-3-nitrobenzoyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide is sourced from PubChem (CID 46657614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).