3,5-dimethyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide

C19H17N5O4 — CID 9033714

IUPAC3,5-dimethyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H17N5O4/c1-12-17(13(2)23(22-12)15-8-4-3-5-9-15)19(26)21-20-18(25)14-7-6-10-16(11-14)24(27)28/h3-11H,1-2H3,(H,20,25)(H,21,26)
InChIKeyOCJABDLRSRVPSG-UHFFFAOYSA-N
MW379.38 g/mol
LogP2.47
Rot. Bonds4

About 3,5-dimethyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide

3,5-dimethyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide (PubChem CID 9033714) has the molecular formula C19H17N5O4 and a molecular weight of 379.38 g/mol. Its IUPAC name is 3,5-dimethyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide.

Molecular Properties

Compound Name3,5-dimethyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide
PubChem CID9033714
Molecular FormulaC19H17N5O4
Molecular Weight379.38 g/mol
Exact Mass379.13
IUPAC Name3,5-dimethyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H17N5O4/c1-12-17(13(2)23(22-12)15-8-4-3-5-9-15)19(26)21-20-18(25)14-7-6-10-16(11-14)24(27)28/h3-11H,1-2H3,(H,20,25)(H,21,26)
InChIKeyOCJABDLRSRVPSG-UHFFFAOYSA-N
XLogP2.47
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 52.47
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

5-chloro-3-methyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide
CID 29259929
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
N-(2-hydroxy-5-nitrophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477769
[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]-phenylmethanone
CID 10734536
N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-3-nitrobenzamide
CID 9140514
N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-1-oxopropan-2-yl]-3-nitrobenzamide
CID 55363872
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 21369241
N'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
5-methyl-N'-(3-nitrobenzoyl)-3-phenyl-1,2-oxazole-4-carbohydrazide
CID 9033711
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-(3-nitrophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 4615982
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(3-nitrophenyl)prop-2-enamide
CID 26719346

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide?
The IUPAC name of 3,5-dimethyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide (CID 9033714) is 3,5-dimethyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide.
What is the SMILES notation for 3,5-dimethyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide?
The canonical SMILES for 3,5-dimethyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide is Cc1nn(-c2ccccc2)c(C)c1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3,5-dimethyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide?
The InChIKey is OCJABDLRSRVPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O4/c1-12-17(13(2)23(22-12)15-8-4-3-5-9-15)19(26)21-20-18(25)14-7-6-10-16(11-14)24(27)28/h3-11H,1-2H3,(H,20,25)(H,21,26).
What are the key properties of 3,5-dimethyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide?
3,5-dimethyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide has a molecular weight of 379.38 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide is sourced from PubChem (CID 9033714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).