N-(4-cyano-1-methylpyrazol-5-yl)-4-nitro-1H-pyrazole-5-carboxamide

C9H7N7O3 — CID 19479717

IUPACN-(4-cyano-1-methylpyrazol-5-yl)-4-nitro-1H-pyrazole-5-carboxamide
SMILESCn1ncc(C#N)c1NC(=O)c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C9H7N7O3/c1-15-8(5(2-10)3-12-15)13-9(17)7-6(16(18)19)4-11-14-7/h3-4H,1H3,(H,11,14)(H,13,17)
InChIKeyFXMYTOGCPZYYIK-UHFFFAOYSA-N
MW261.20 g/mol
LogP0.18
Rot. Bonds3

About N-(4-cyano-1-methylpyrazol-5-yl)-4-nitro-1H-pyrazole-5-carboxamide

N-(4-cyano-1-methylpyrazol-5-yl)-4-nitro-1H-pyrazole-5-carboxamide (PubChem CID 19479717) has the molecular formula C9H7N7O3 and a molecular weight of 261.20 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-5-yl)-4-nitro-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)-4-nitro-1H-pyrazole-5-carboxamide
PubChem CID19479717
Molecular FormulaC9H7N7O3
Molecular Weight261.20 g/mol
Exact Mass261.06
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)-4-nitro-1H-pyrazole-5-carboxamide
SMILESCn1ncc(C#N)c1NC(=O)c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C9H7N7O3/c1-15-8(5(2-10)3-12-15)13-9(17)7-6(16(18)19)4-11-14-7/h3-4H,1H3,(H,11,14)(H,13,17)
InChIKeyFXMYTOGCPZYYIK-UHFFFAOYSA-N
XLogP0.18
TPSA142.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 50.18
H-Bond Donors ≤ 52
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

4-bromo-N-(4-cyano-1-methylpyrazol-5-yl)-1H-pyrazole-5-carboxamide
CID 19511444
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N-(4-cyano-1-methylpyrazol-5-yl)-2-methyl-5-nitrobenzamide
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N-(4-cyano-1-methylpyrazol-5-yl)-2-methyl-4-nitrobenzamide
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4-cyano-N-(4-cyano-1-methylpyrazol-5-yl)benzamide
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1-tert-butyl-3-(4-cyano-1-methylpyrazol-5-yl)urea
CID 79504321
N-(4-cyano-1-methylpyrazol-5-yl)-6-methylpyridine-2-carboxamide
CID 110472162
N-(4-cyano-1-methylpyrazol-5-yl)-3,4-dimethylbenzamide
CID 112723715
N-[3-cyano-4-(trifluoromethoxy)phenyl]-4-nitro-1H-pyrazole-5-carboxamide
CID 122150604
N-(4-cyano-1-methylpyrazol-5-yl)-4-hydroxy-2-methylbenzamide
CID 107671438
N-(1-methylbenzimidazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide
CID 831829

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-4-nitro-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-4-nitro-1H-pyrazole-5-carboxamide (CID 19479717) is N-(4-cyano-1-methylpyrazol-5-yl)-4-nitro-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)-4-nitro-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)-4-nitro-1H-pyrazole-5-carboxamide is Cn1ncc(C#N)c1NC(=O)c1[nH]ncc1[N+](=O)[O-].
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)-4-nitro-1H-pyrazole-5-carboxamide?
The InChIKey is FXMYTOGCPZYYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N7O3/c1-15-8(5(2-10)3-12-15)13-9(17)7-6(16(18)19)4-11-14-7/h3-4H,1H3,(H,11,14)(H,13,17).
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)-4-nitro-1H-pyrazole-5-carboxamide?
N-(4-cyano-1-methylpyrazol-5-yl)-4-nitro-1H-pyrazole-5-carboxamide has a molecular weight of 261.20 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-5-yl)-4-nitro-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19479717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).