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

C10H12N6O3 — CID 19479545

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)cc1CNC(=O)c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C10H12N6O3/c1-6-7(5-15(2)14-6)3-11-10(17)9-8(16(18)19)4-12-13-9/h4-5H,3H2,1-2H3,(H,11,17)(H,12,13)
InChIKeyLGJPUXBBRFXDFI-UHFFFAOYSA-N
MW264.24 g/mol
LogP0.29
Rot. Bonds4

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

N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide (PubChem CID 19479545) has the molecular formula C10H12N6O3 and a molecular weight of 264.24 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide
PubChem CID19479545
Molecular FormulaC10H12N6O3
Molecular Weight264.24 g/mol
Exact Mass264.10
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)cc1CNC(=O)c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C10H12N6O3/c1-6-7(5-15(2)14-6)3-11-10(17)9-8(16(18)19)4-12-13-9/h4-5H,3H2,1-2H3,(H,11,17)(H,12,13)
InChIKeyLGJPUXBBRFXDFI-UHFFFAOYSA-N
XLogP0.29
TPSA118.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.29
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-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 112671835
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-fluoro-2-nitrobenzamide
CID 115989525
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522147
N-hexyl-4-nitro-1H-pyrazole-5-carboxamide
CID 2840083
5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 112671836
N-[(3,4-dimethoxyphenyl)methyl]-4-nitro-1H-pyrazole-5-carboxamide
CID 19579644
N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane
CID 142558548
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 112671881
2-amino-5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide
CID 112670930
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279610
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-4-nitro-1H-pyrazole-5-carboxamide
CID 171130891
4-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-5-carboxamide
CID 19475026

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide (CID 19479545) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide is Cc1nn(C)cc1CNC(=O)c1[nH]ncc1[N+](=O)[O-].
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide?
The InChIKey is LGJPUXBBRFXDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O3/c1-6-7(5-15(2)14-6)3-11-10(17)9-8(16(18)19)4-12-13-9/h4-5H,3H2,1-2H3,(H,11,17)(H,12,13).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide has a molecular weight of 264.24 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19479545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).