5-chloro-3-methyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide

C18H14ClN5O4 — CID 29259929

IUPAC5-chloro-3-methyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide
SMILESCc1nn(-c2ccccc2)c(Cl)c1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H14ClN5O4/c1-11-15(16(19)23(22-11)13-7-3-2-4-8-13)18(26)21-20-17(25)12-6-5-9-14(10-12)24(27)28/h2-10H,1H3,(H,20,25)(H,21,26)
InChIKeyOIXSMDLCXFMONN-UHFFFAOYSA-N
MW399.79 g/mol
LogP2.82
Rot. Bonds4

About 5-chloro-3-methyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide

5-chloro-3-methyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide (PubChem CID 29259929) has the molecular formula C18H14ClN5O4 and a molecular weight of 399.79 g/mol. Its IUPAC name is 5-chloro-3-methyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide.

Molecular Properties

Compound Name5-chloro-3-methyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide
PubChem CID29259929
Molecular FormulaC18H14ClN5O4
Molecular Weight399.79 g/mol
Exact Mass399.07
IUPAC Name5-chloro-3-methyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide
SMILESCc1nn(-c2ccccc2)c(Cl)c1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H14ClN5O4/c1-11-15(16(19)23(22-11)13-7-3-2-4-8-13)18(26)21-20-17(25)12-6-5-9-14(10-12)24(27)28/h2-10H,1H3,(H,20,25)(H,21,26)
InChIKeyOIXSMDLCXFMONN-UHFFFAOYSA-N
XLogP2.82
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.79
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide
CID 9033714
5-chloro-3-methyl-1-phenyl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide
CID 4808544
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-nitrobenzamide
CID 3888032
N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-2-oxoethyl]-3-nitrobenzamide
CID 24549001
5-chloro-N'-(2,4-dimethylbenzoyl)-3-methyl-1-phenylpyrazole-4-carbohydrazide
CID 18225535
5-chloro-N'-[3-(dimethylamino)benzoyl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carbohydrazide
CID 27606125
N'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
5-chloro-N-(4-fluoro-3-nitrophenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 94866770
N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-3-nitrobenzamide
CID 9140514
5-methyl-N'-(3-nitrobenzoyl)-3-phenyl-1,2-oxazole-4-carbohydrazide
CID 9033711
5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3132709
N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-1-oxopropan-2-yl]-3-nitrobenzamide
CID 55363872

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide?
The IUPAC name of 5-chloro-3-methyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide (CID 29259929) is 5-chloro-3-methyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide.
What is the SMILES notation for 5-chloro-3-methyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide?
The canonical SMILES for 5-chloro-3-methyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide is Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 5-chloro-3-methyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide?
The InChIKey is OIXSMDLCXFMONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O4/c1-11-15(16(19)23(22-11)13-7-3-2-4-8-13)18(26)21-20-17(25)12-6-5-9-14(10-12)24(27)28/h2-10H,1H3,(H,20,25)(H,21,26).
What are the key properties of 5-chloro-3-methyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide?
5-chloro-3-methyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide has a molecular weight of 399.79 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide is sourced from PubChem (CID 29259929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).