3-(4-chlorophenyl)-2-ethyl-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine

C20H15ClN4O2 — CID 66498123

IUPAC3-(4-chlorophenyl)-2-ethyl-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine
SMILESCCc1nn2c(-c3cccc([N+](=O)[O-])c3)ccnc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN4O2/c1-2-17-19(13-6-8-15(21)9-7-13)20-22-11-10-18(24(20)23-17)14-4-3-5-16(12-14)25(26)27/h3-12H,2H2,1H3
InChIKeyUZYIOZJJZGDUQP-UHFFFAOYSA-N
MW378.82 g/mol
LogP5.19
Rot. Bonds4

About 3-(4-chlorophenyl)-2-ethyl-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine

3-(4-chlorophenyl)-2-ethyl-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 66498123) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-ethyl-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-ethyl-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID66498123
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC Name3-(4-chlorophenyl)-2-ethyl-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine
SMILESCCc1nn2c(-c3cccc([N+](=O)[O-])c3)ccnc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN4O2/c1-2-17-19(13-6-8-15(21)9-7-13)20-22-11-10-18(24(20)23-17)14-4-3-5-16(12-14)25(26)27/h3-12H,2H2,1H3
InChIKeyUZYIOZJJZGDUQP-UHFFFAOYSA-N
XLogP5.19
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.82
LogP ≤ 55.19
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

7-(4-fluoro-3-nitrophenyl)-3-(4-fluorophenyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine
CID 66498780
2-ethyl-3-(4-fluorophenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine
CID 56922032
3-(4-methylphenyl)-2-propyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 141325534
2-ethyl-7-[3-[[3-nitro-5-(trifluoromethyl)benzoyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 69191333
1-(4-chlorophenyl)-5-ethyl-3-(3-nitrophenyl)pyrazole-4-carboxylic acid
CID 3748516
4-chloro-6-ethyl-5-methyl-2-(3-nitrophenyl)pyrimidine
CID 63548439
7-(3-nitrophenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66497839
7-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 56922577
ethyl 2-[[7-(3-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]acetate
CID 66491848
2-chloro-6-ethyl-4-(3-nitrophenyl)pyridine
CID 13402562
7-(4-fluoro-3-nitrophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine
CID 66498127
N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4862897

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-ethyl-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-chlorophenyl)-2-ethyl-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine (CID 66498123) is 3-(4-chlorophenyl)-2-ethyl-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-ethyl-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-chlorophenyl)-2-ethyl-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine is CCc1nn2c(-c3cccc([N+](=O)[O-])c3)ccnc2c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-ethyl-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is UZYIOZJJZGDUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c1-2-17-19(13-6-8-15(21)9-7-13)20-22-11-10-18(24(20)23-17)14-4-3-5-16(12-14)25(26)27/h3-12H,2H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-2-ethyl-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine?
3-(4-chlorophenyl)-2-ethyl-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 378.82 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-ethyl-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 66498123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).