4-chloro-1-methyl-N-(5-nitro-2-pyridinyl)pyrazole-3-carboxamide

C10H8ClN5O3 — CID 3590606

IUPAC4-chloro-1-methyl-N-(5-nitro-2-pyridinyl)pyrazole-3-carboxamide
SMILESCn1cc(Cl)c(C(=O)Nc2ccc([N+](=O)[O-])cn2)n1
InChIInChI=1S/C10H8ClN5O3/c1-15-5-7(11)9(14-15)10(17)13-8-3-2-6(4-12-8)16(18)19/h2-5H,1H3,(H,12,13,17)
InChIKeyPOUPKEFKHLEKLJ-UHFFFAOYSA-N
MW281.66 g/mol
LogP1.63
Rot. Bonds3

About 4-chloro-1-methyl-N-(5-nitro-2-pyridinyl)pyrazole-3-carboxamide

4-chloro-1-methyl-N-(5-nitro-2-pyridinyl)pyrazole-3-carboxamide (PubChem CID 3590606) has the molecular formula C10H8ClN5O3 and a molecular weight of 281.66 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-(5-nitro-2-pyridinyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-(5-nitro-2-pyridinyl)pyrazole-3-carboxamide
PubChem CID3590606
Molecular FormulaC10H8ClN5O3
Molecular Weight281.66 g/mol
Exact Mass281.03
IUPAC Name4-chloro-1-methyl-N-(5-nitro-2-pyridinyl)pyrazole-3-carboxamide
SMILESCn1cc(Cl)c(C(=O)Nc2ccc([N+](=O)[O-])cn2)n1
InChIInChI=1S/C10H8ClN5O3/c1-15-5-7(11)9(14-15)10(17)13-8-3-2-6(4-12-8)16(18)19/h2-5H,1H3,(H,12,13,17)
InChIKeyPOUPKEFKHLEKLJ-UHFFFAOYSA-N
XLogP1.63
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 51.63
H-Bond Donors ≤ 51
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

4-chloro-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-3-carboxamide
CID 3136981
N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrazole-3-carboxamide
CID 844632
3-chloro-4-nitro-N-(5-nitro-2-pyridinyl)benzamide
CID 11834512
4-chloro-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide
CID 19263590
4-chloro-1-methyl-N-[3-(4-methylphenoxy)-5-nitrophenyl]pyrazole-3-carboxamide
CID 19263666
5-chloro-N-(5-nitro-2-pyridinyl)-1H-indazole-3-carboxamide
CID 10358473
4-bromo-N-(5-nitro-2-pyridinyl)benzamide
CID 4180609
3,5-dimethoxy-N-(5-nitro-2-pyridinyl)benzamide
CID 2862603
3-fluoro-5-methyl-N-(5-nitro-2-pyridinyl)benzamide
CID 162519913
5-bromo-N-(5-nitro-2-pyridinyl)furan-2-carboxamide
CID 5187612
4-chloro-1-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrazole-3-carboxamide
CID 131899881
5-ethyl-N-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carboxamide
CID 19439788

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-(5-nitro-2-pyridinyl)pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-(5-nitro-2-pyridinyl)pyrazole-3-carboxamide (CID 3590606) is 4-chloro-1-methyl-N-(5-nitro-2-pyridinyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-(5-nitro-2-pyridinyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-(5-nitro-2-pyridinyl)pyrazole-3-carboxamide is Cn1cc(Cl)c(C(=O)Nc2ccc([N+](=O)[O-])cn2)n1.
What is the InChIKey of 4-chloro-1-methyl-N-(5-nitro-2-pyridinyl)pyrazole-3-carboxamide?
The InChIKey is POUPKEFKHLEKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5O3/c1-15-5-7(11)9(14-15)10(17)13-8-3-2-6(4-12-8)16(18)19/h2-5H,1H3,(H,12,13,17).
What are the key properties of 4-chloro-1-methyl-N-(5-nitro-2-pyridinyl)pyrazole-3-carboxamide?
4-chloro-1-methyl-N-(5-nitro-2-pyridinyl)pyrazole-3-carboxamide has a molecular weight of 281.66 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-(5-nitro-2-pyridinyl)pyrazole-3-carboxamide is sourced from PubChem (CID 3590606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).