4-(3,5-dimethylpyrazol-1-yl)-N'-(4-nitrophenyl)benzohydrazide

C18H17N5O3 — CID 4862138

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N'-(4-nitrophenyl)benzohydrazide
SMILESCc1cc(C)n(-c2ccc(C(=O)NNc3ccc([N+](=O)[O-])cc3)cc2)n1
InChIInChI=1S/C18H17N5O3/c1-12-11-13(2)22(21-12)16-7-3-14(4-8-16)18(24)20-19-15-5-9-17(10-6-15)23(25)26/h3-11,19H,1-2H3,(H,20,24)
InChIKeyRZNMTXAGICGZJZ-UHFFFAOYSA-N
MW351.37 g/mol
LogP3.15
Rot. Bonds5

About 4-(3,5-dimethylpyrazol-1-yl)-N'-(4-nitrophenyl)benzohydrazide

4-(3,5-dimethylpyrazol-1-yl)-N'-(4-nitrophenyl)benzohydrazide (PubChem CID 4862138) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N'-(4-nitrophenyl)benzohydrazide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N'-(4-nitrophenyl)benzohydrazide
PubChem CID4862138
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N'-(4-nitrophenyl)benzohydrazide
SMILESCc1cc(C)n(-c2ccc(C(=O)NNc3ccc([N+](=O)[O-])cc3)cc2)n1
InChIInChI=1S/C18H17N5O3/c1-12-11-13(2)22(21-12)16-7-3-14(4-8-16)18(24)20-19-15-5-9-17(10-6-15)23(25)26/h3-11,19H,1-2H3,(H,20,24)
InChIKeyRZNMTXAGICGZJZ-UHFFFAOYSA-N
XLogP3.15
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.15
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

1-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]ethanone
CID 121001716
6-(3,5-dimethylpyrazol-1-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]pyridine-3-carboxamide
CID 55668204
N'-(4-nitrophenyl)pyridine-4-carbohydrazide
CID 21205889
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-methylsulfanylbenzamide
CID 78837818
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-(trifluoromethyl)benzamide
CID 55508208
N-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 4862154
4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
3,5-dimethyl-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]benzamide
CID 55520402
4-(2,5-dioxopyrrolidin-1-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]benzamide
CID 55507983
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-(trifluoromethylsulfonyl)benzamide
CID 55567376
4-(3,5-dimethylpyrazol-1-yl)-N-naphthalen-2-ylbenzamide
CID 2353958
5-methyl-1-(4-nitrophenyl)pyrazol-3-amine
CID 50999869

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N'-(4-nitrophenyl)benzohydrazide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N'-(4-nitrophenyl)benzohydrazide (CID 4862138) is 4-(3,5-dimethylpyrazol-1-yl)-N'-(4-nitrophenyl)benzohydrazide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N'-(4-nitrophenyl)benzohydrazide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N'-(4-nitrophenyl)benzohydrazide is Cc1cc(C)n(-c2ccc(C(=O)NNc3ccc([N+](=O)[O-])cc3)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N'-(4-nitrophenyl)benzohydrazide?
The InChIKey is RZNMTXAGICGZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-12-11-13(2)22(21-12)16-7-3-14(4-8-16)18(24)20-19-15-5-9-17(10-6-15)23(25)26/h3-11,19H,1-2H3,(H,20,24).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N'-(4-nitrophenyl)benzohydrazide?
4-(3,5-dimethylpyrazol-1-yl)-N'-(4-nitrophenyl)benzohydrazide has a molecular weight of 351.37 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N'-(4-nitrophenyl)benzohydrazide is sourced from PubChem (CID 4862138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).