4-[5-methyl-3-(3-nitrophenyl)-1H-pyrazol-4-yl]pyridine

C15H12N4O2 — CID 22037254

IUPAC4-[5-methyl-3-(3-nitrophenyl)-1H-pyrazol-4-yl]pyridine
SMILESCc1[nH]nc(-c2cccc([N+](=O)[O-])c2)c1-c1ccncc1
InChIInChI=1S/C15H12N4O2/c1-10-14(11-5-7-16-8-6-11)15(18-17-10)12-3-2-4-13(9-12)19(20)21/h2-9H,1H3,(H,17,18)
InChIKeyCQRDLIUUMUZZAH-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.36
Rot. Bonds3

About 4-[5-methyl-3-(3-nitrophenyl)-1H-pyrazol-4-yl]pyridine

4-[5-methyl-3-(3-nitrophenyl)-1H-pyrazol-4-yl]pyridine (PubChem CID 22037254) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 4-[5-methyl-3-(3-nitrophenyl)-1H-pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-methyl-3-(3-nitrophenyl)-1H-pyrazol-4-yl]pyridine
PubChem CID22037254
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name4-[5-methyl-3-(3-nitrophenyl)-1H-pyrazol-4-yl]pyridine
SMILESCc1[nH]nc(-c2cccc([N+](=O)[O-])c2)c1-c1ccncc1
InChIInChI=1S/C15H12N4O2/c1-10-14(11-5-7-16-8-6-11)15(18-17-10)12-3-2-4-13(9-12)19(20)21/h2-9H,1H3,(H,17,18)
InChIKeyCQRDLIUUMUZZAH-UHFFFAOYSA-N
XLogP3.36
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[3-(3-ethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine
CID 22037470
nitric acid;4-(3-nitrophenyl)pyridine
CID 71334650
ethyl 5-methyl-3-(3-nitrophenyl)-1H-pyrazole-4-carboxylate
CID 101440422
1,1-dimethoxyethane;4-(3-nitrophenyl)pyridine
CID 139939427
3-(3-methylphenyl)-5-nitro-1H-indazole
CID 71303796
4-[4-methoxy-3-(3-nitrophenyl)phenyl]pyridine
CID 15453442
4-[3-(3-methoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine
CID 22037265
3-[2-ethyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490724
3-nitro-4-(3-nitrophenyl)pyridine
CID 26793007
5-methyl-7-(3-nitrophenyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 69132149
(3,4-diphenyl-1H-pyrazol-5-yl)-(3-nitrophenyl)methanone
CID 135065441
4-bromo-3-(3-nitrophenyl)-1H-pyrazole-5-carboxylic acid
CID 91902603

Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-3-(3-nitrophenyl)-1H-pyrazol-4-yl]pyridine?
The IUPAC name of 4-[5-methyl-3-(3-nitrophenyl)-1H-pyrazol-4-yl]pyridine (CID 22037254) is 4-[5-methyl-3-(3-nitrophenyl)-1H-pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-methyl-3-(3-nitrophenyl)-1H-pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[5-methyl-3-(3-nitrophenyl)-1H-pyrazol-4-yl]pyridine is Cc1[nH]nc(-c2cccc([N+](=O)[O-])c2)c1-c1ccncc1.
What is the InChIKey of 4-[5-methyl-3-(3-nitrophenyl)-1H-pyrazol-4-yl]pyridine?
The InChIKey is CQRDLIUUMUZZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-10-14(11-5-7-16-8-6-11)15(18-17-10)12-3-2-4-13(9-12)19(20)21/h2-9H,1H3,(H,17,18).
What are the key properties of 4-[5-methyl-3-(3-nitrophenyl)-1H-pyrazol-4-yl]pyridine?
4-[5-methyl-3-(3-nitrophenyl)-1H-pyrazol-4-yl]pyridine has a molecular weight of 280.29 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-3-(3-nitrophenyl)-1H-pyrazol-4-yl]pyridine is sourced from PubChem (CID 22037254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).