N'-(3-nitrobenzoyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbohydrazide

C17H17N7O4 — CID 78886689

IUPACN'-(3-nitrobenzoyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbohydrazide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)[nH]n1
InChIInChI=1S/C17H17N7O4/c1-9-15(10(2)23(3)22-9)13-8-14(19-18-13)17(26)21-20-16(25)11-5-4-6-12(7-11)24(27)28/h4-8H,1-3H3,(H,18,19)(H,20,25)(H,21,26)
InChIKeyZELBWMCRWULWBT-UHFFFAOYSA-N
MW383.37 g/mol
LogP1.41
Rot. Bonds4

About N'-(3-nitrobenzoyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbohydrazide

N'-(3-nitrobenzoyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbohydrazide (PubChem CID 78886689) has the molecular formula C17H17N7O4 and a molecular weight of 383.37 g/mol. Its IUPAC name is N'-(3-nitrobenzoyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(3-nitrobenzoyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbohydrazide
PubChem CID78886689
Molecular FormulaC17H17N7O4
Molecular Weight383.37 g/mol
Exact Mass383.13
IUPAC NameN'-(3-nitrobenzoyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbohydrazide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)[nH]n1
InChIInChI=1S/C17H17N7O4/c1-9-15(10(2)23(3)22-9)13-8-14(19-18-13)17(26)21-20-16(25)11-5-4-6-12(7-11)24(27)28/h4-8H,1-3H3,(H,18,19)(H,20,25)(H,21,26)
InChIKeyZELBWMCRWULWBT-UHFFFAOYSA-N
XLogP1.41
TPSA147.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-(3-nitrophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 4615982
N-(2,3-dimethylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879388
3,5-dimethyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide
CID 9033714
N'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbohydrazide
CID 78880139
N-(2-propan-2-ylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78881659
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-(4-nitrophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 4037838
5-chloro-3-methyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide
CID 29259929
N-(4-fluoro-2-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880128
2-bromo-N'-(3-nitrobenzoyl)benzohydrazide
CID 3817940
N'-(2-methoxyacetyl)-3-nitrobenzohydrazide
CID 17386589
N-[1-(3-nitrophenyl)ethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 869991

Frequently Asked Questions

What is the IUPAC name of N'-(3-nitrobenzoyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbohydrazide?
The IUPAC name of N'-(3-nitrobenzoyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbohydrazide (CID 78886689) is N'-(3-nitrobenzoyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for N'-(3-nitrobenzoyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for N'-(3-nitrobenzoyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbohydrazide is Cc1nn(C)c(C)c1-c1cc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)[nH]n1.
What is the InChIKey of N'-(3-nitrobenzoyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbohydrazide?
The InChIKey is ZELBWMCRWULWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O4/c1-9-15(10(2)23(3)22-9)13-8-14(19-18-13)17(26)21-20-16(25)11-5-4-6-12(7-11)24(27)28/h4-8H,1-3H3,(H,18,19)(H,20,25)(H,21,26).
What are the key properties of N'-(3-nitrobenzoyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbohydrazide?
N'-(3-nitrobenzoyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbohydrazide has a molecular weight of 383.37 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-nitrobenzoyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 78886689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).