3-[(4-nitropyrazol-1-yl)methyl]pyridine

C9H8N4O2 — CID 167777500

IUPAC3-[(4-nitropyrazol-1-yl)methyl]pyridine
SMILESO=[N+]([O-])c1cnn(Cc2cccnc2)c1
InChIInChI=1S/C9H8N4O2/c14-13(15)9-5-11-12(7-9)6-8-2-1-3-10-4-8/h1-5,7H,6H2
InChIKeyMFSSNPSHEZCONO-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.23
Rot. Bonds3

About 3-[(4-nitropyrazol-1-yl)methyl]pyridine

3-[(4-nitropyrazol-1-yl)methyl]pyridine (PubChem CID 167777500) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 3-[(4-nitropyrazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name3-[(4-nitropyrazol-1-yl)methyl]pyridine
PubChem CID167777500
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name3-[(4-nitropyrazol-1-yl)methyl]pyridine
SMILESO=[N+]([O-])c1cnn(Cc2cccnc2)c1
InChIInChI=1S/C9H8N4O2/c14-13(15)9-5-11-12(7-9)6-8-2-1-3-10-4-8/h1-5,7H,6H2
InChIKeyMFSSNPSHEZCONO-UHFFFAOYSA-N
XLogP1.23
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.23
H-Bond Donors ≤ 50
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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Related Compounds

1-[(3-methylphenyl)methyl]-4-nitropyrazole
CID 4581447
3-[(4-nitropyrazol-1-yl)methyl]-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 5297003
2-chloro-4-[(4-nitropyrazol-1-yl)methyl]pyridine
CID 62300486
1-[(4-ethenylphenyl)methyl]-4-nitropyrazole
CID 91823815
1-(pyridin-3-ylmethyl)pyrazole-4-carboxylic acid
CID 43565330
2-nitro-4-[(4-nitropyrazol-1-yl)methyl]aniline
CID 55046334
[3-[(4-nitropyrazol-1-yl)methyl]phenyl]carbamic acid
CID 130338861
1-[(2-fluorophenyl)methyl]-4-nitropyrazole
CID 573054
5-[(4-nitropyrazol-1-yl)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide
CID 6873652
1-[(2,4-difluorophenyl)methyl]-4-nitropyrazole
CID 75357814
[5-[(4-nitropyrazol-1-yl)methyl]furan-2-yl]methanol
CID 66928816
N-benzyl-2-(4-nitropyrazol-1-yl)acetamide
CID 2983141

Frequently Asked Questions

What is the IUPAC name of 3-[(4-nitropyrazol-1-yl)methyl]pyridine?
The IUPAC name of 3-[(4-nitropyrazol-1-yl)methyl]pyridine (CID 167777500) is 3-[(4-nitropyrazol-1-yl)methyl]pyridine.
What is the SMILES notation for 3-[(4-nitropyrazol-1-yl)methyl]pyridine?
The canonical SMILES for 3-[(4-nitropyrazol-1-yl)methyl]pyridine is O=[N+]([O-])c1cnn(Cc2cccnc2)c1.
What is the InChIKey of 3-[(4-nitropyrazol-1-yl)methyl]pyridine?
The InChIKey is MFSSNPSHEZCONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c14-13(15)9-5-11-12(7-9)6-8-2-1-3-10-4-8/h1-5,7H,6H2.
What are the key properties of 3-[(4-nitropyrazol-1-yl)methyl]pyridine?
3-[(4-nitropyrazol-1-yl)methyl]pyridine has a molecular weight of 204.19 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-nitropyrazol-1-yl)methyl]pyridine is sourced from PubChem (CID 167777500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).