N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-4-nitro-1H-pyrazole-5-carboxamide

C10H10FN7O3 — CID 171130891

IUPACN-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-4-nitro-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)c(F)c1C=NNC(=O)c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C10H10FN7O3/c1-5-6(9(11)17(2)16-5)3-12-15-10(19)8-7(18(20)21)4-13-14-8/h3-4H,1-2H3,(H,13,14)(H,15,19)
InChIKeyCWSYNFABJPENBE-UHFFFAOYSA-N
MW295.23 g/mol
LogP0.26
Rot. Bonds4

About N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-4-nitro-1H-pyrazole-5-carboxamide

N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-4-nitro-1H-pyrazole-5-carboxamide (PubChem CID 171130891) has the molecular formula C10H10FN7O3 and a molecular weight of 295.23 g/mol. Its IUPAC name is N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-4-nitro-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-4-nitro-1H-pyrazole-5-carboxamide
PubChem CID171130891
Molecular FormulaC10H10FN7O3
Molecular Weight295.23 g/mol
Exact Mass295.08
IUPAC NameN-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-4-nitro-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)c(F)c1C=NNC(=O)c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C10H10FN7O3/c1-5-6(9(11)17(2)16-5)3-12-15-10(19)8-7(18(20)21)4-13-14-8/h3-4H,1-2H3,(H,13,14)(H,15,19)
InChIKeyCWSYNFABJPENBE-UHFFFAOYSA-N
XLogP0.26
TPSA131.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.23
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-1-methyl-4-nitropyrazole-5-carboxamide
CID 119055838
N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 119055807
N-(benzylideneamino)-4-nitro-1H-pyrazole-5-carboxamide
CID 909702
4-bromo-N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]benzamide
CID 119055885
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide
CID 171131026
N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 119055877
N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 119055879
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide
CID 19479545
4-chloro-1-ethyl-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]pyrazole-3-carboxamide
CID 171130907
N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-4-pyrrol-1-ylbenzamide
CID 124854830
1-ethyl-N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 119055927
2-(difluoromethyl)-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]pyrazole-3-carboxamide
CID 124842333

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-4-nitro-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-4-nitro-1H-pyrazole-5-carboxamide (CID 171130891) is N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-4-nitro-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-4-nitro-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-4-nitro-1H-pyrazole-5-carboxamide is Cc1nn(C)c(F)c1C=NNC(=O)c1[nH]ncc1[N+](=O)[O-].
What is the InChIKey of N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-4-nitro-1H-pyrazole-5-carboxamide?
The InChIKey is CWSYNFABJPENBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN7O3/c1-5-6(9(11)17(2)16-5)3-12-15-10(19)8-7(18(20)21)4-13-14-8/h3-4H,1-2H3,(H,13,14)(H,15,19).
What are the key properties of N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-4-nitro-1H-pyrazole-5-carboxamide?
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-4-nitro-1H-pyrazole-5-carboxamide has a molecular weight of 295.23 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-4-nitro-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 171130891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).