N-(5-chloro-2-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide

C9H6ClN5O3 — CID 841670

IUPACN-(5-chloro-2-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C9H6ClN5O3/c10-5-1-2-7(11-3-5)13-9(16)8-6(15(17)18)4-12-14-8/h1-4H,(H,12,14)(H,11,13,16)
InChIKeyACWYDLGURAYJKI-UHFFFAOYSA-N
MW267.63 g/mol
LogP1.62
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide

N-(5-chloro-2-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide (PubChem CID 841670) has the molecular formula C9H6ClN5O3 and a molecular weight of 267.63 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide
PubChem CID841670
Molecular FormulaC9H6ClN5O3
Molecular Weight267.63 g/mol
Exact Mass267.02
IUPAC NameN-(5-chloro-2-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C9H6ClN5O3/c10-5-1-2-7(11-3-5)13-9(16)8-6(15(17)18)4-12-14-8/h1-4H,(H,12,14)(H,11,13,16)
InChIKeyACWYDLGURAYJKI-UHFFFAOYSA-N
XLogP1.62
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.63
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide (CID 841670) is N-(5-chloro-2-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(Cl)cn1)c1[nH]ncc1[N+](=O)[O-].
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide?
The InChIKey is ACWYDLGURAYJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN5O3/c10-5-1-2-7(11-3-5)13-9(16)8-6(15(17)18)4-12-14-8/h1-4H,(H,12,14)(H,11,13,16).
What are the key properties of N-(5-chloro-2-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide?
N-(5-chloro-2-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide has a molecular weight of 267.63 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-4-nitro-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 841670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).