5-methyl-7-(3-nitrophenyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

C18H13N5O2 — CID 69132149

IUPAC5-methyl-7-(3-nitrophenyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(-c2cccc([N+](=O)[O-])c2)n2nc(-c3ccncc3)cc2n1
InChIInChI=1S/C18H13N5O2/c1-12-9-17(14-3-2-4-15(10-14)23(24)25)22-18(20-12)11-16(21-22)13-5-7-19-8-6-13/h2-11H,1H3
InChIKeyCXMBJMCVUUXEDW-UHFFFAOYSA-N
MW331.34 g/mol
LogP3.67
Rot. Bonds3

About 5-methyl-7-(3-nitrophenyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

5-methyl-7-(3-nitrophenyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 69132149) has the molecular formula C18H13N5O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 5-methyl-7-(3-nitrophenyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-(3-nitrophenyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID69132149
Molecular FormulaC18H13N5O2
Molecular Weight331.34 g/mol
Exact Mass331.11
IUPAC Name5-methyl-7-(3-nitrophenyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(-c2cccc([N+](=O)[O-])c2)n2nc(-c3ccncc3)cc2n1
InChIInChI=1S/C18H13N5O2/c1-12-9-17(14-3-2-4-15(10-14)23(24)25)22-18(20-12)11-16(21-22)13-5-7-19-8-6-13/h2-11H,1H3
InChIKeyCXMBJMCVUUXEDW-UHFFFAOYSA-N
XLogP3.67
TPSA86.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 53.67
H-Bond Donors ≤ 50
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

nitric acid;4-(3-nitrophenyl)pyridine
CID 71334650
7-(3-nitrophenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66497839
2,6-dimethyl-4-(3-nitrophenyl)pyridine
CID 3016152
7-methyl-2-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 82371069
7-(4-fluorophenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 12531785
4-[5-methyl-3-(3-nitrophenyl)-1H-pyrazol-4-yl]pyridine
CID 22037254
1-(3-nitrophenyl)-2-[(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]ethanone
CID 7532143
1,1-dimethoxyethane;4-(3-nitrophenyl)pyridine
CID 139939427
1,4-dimethyl-2-(3-nitrophenyl)imidazole
CID 174565698
2,4,6-trimethyl-3-(3-nitrophenyl)pyridine
CID 141175511
[4-methyl-6-(3-nitrophenyl)pyrimidin-2-yl]hydrazine
CID 82192470
N-(3-nitrophenyl)-1-[4-[5-[(3-nitrophenyl)carbamoyl]-3-pyridin-4-ylpyrazol-1-yl]butyl]-3-pyridin-4-ylpyrazole-5-carboxamide
CID 175497568

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(3-nitrophenyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-(3-nitrophenyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (CID 69132149) is 5-methyl-7-(3-nitrophenyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-(3-nitrophenyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-(3-nitrophenyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is Cc1cc(-c2cccc([N+](=O)[O-])c2)n2nc(-c3ccncc3)cc2n1.
What is the InChIKey of 5-methyl-7-(3-nitrophenyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is CXMBJMCVUUXEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2/c1-12-9-17(14-3-2-4-15(10-14)23(24)25)22-18(20-12)11-16(21-22)13-5-7-19-8-6-13/h2-11H,1H3.
What are the key properties of 5-methyl-7-(3-nitrophenyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
5-methyl-7-(3-nitrophenyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 331.34 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(3-nitrophenyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 69132149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).