4-(3,5-dimethylpyrazol-1-yl)-6-naphthalen-1-yloxy-5-nitropyrimidine

C19H15N5O3 — CID 23480045

IUPAC4-(3,5-dimethylpyrazol-1-yl)-6-naphthalen-1-yloxy-5-nitropyrimidine
SMILESCc1cc(C)n(-c2ncnc(Oc3cccc4ccccc34)c2[N+](=O)[O-])n1
InChIInChI=1S/C19H15N5O3/c1-12-10-13(2)23(22-12)18-17(24(25)26)19(21-11-20-18)27-16-9-5-7-14-6-3-4-8-15(14)16/h3-11H,1-2H3
InChIKeyDRINEUNKWGKMLZ-UHFFFAOYSA-N
MW361.36 g/mol
LogP4.13
Rot. Bonds4

About 4-(3,5-dimethylpyrazol-1-yl)-6-naphthalen-1-yloxy-5-nitropyrimidine

4-(3,5-dimethylpyrazol-1-yl)-6-naphthalen-1-yloxy-5-nitropyrimidine (PubChem CID 23480045) has the molecular formula C19H15N5O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-6-naphthalen-1-yloxy-5-nitropyrimidine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-6-naphthalen-1-yloxy-5-nitropyrimidine
PubChem CID23480045
Molecular FormulaC19H15N5O3
Molecular Weight361.36 g/mol
Exact Mass361.12
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-6-naphthalen-1-yloxy-5-nitropyrimidine
SMILESCc1cc(C)n(-c2ncnc(Oc3cccc4ccccc34)c2[N+](=O)[O-])n1
InChIInChI=1S/C19H15N5O3/c1-12-10-13(2)23(22-12)18-17(24(25)26)19(21-11-20-18)27-16-9-5-7-14-6-3-4-8-15(14)16/h3-11H,1-2H3
InChIKeyDRINEUNKWGKMLZ-UHFFFAOYSA-N
XLogP4.13
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenoxy)-5-nitropyrimidine
CID 22539179
1-(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)azepane
CID 23479857
N,N-dimethyl-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine
CID 23479852
2-methyl-8-(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)oxyquinoline
CID 23479881
N-(3,5-dimethylphenyl)-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine
CID 23479337
6-(3,5-dimethylpyrazol-1-yl)-N-(2-ethoxyphenyl)-5-nitropyrimidin-4-amine
CID 22539034
N-ethyl-6-naphthalen-1-yloxy-5-nitro-N-phenylpyrimidin-4-amine
CID 23478138
6-(3,5-dimethylpyrazol-1-yl)-N-ethyl-5-nitro-N-phenylpyrimidin-4-amine
CID 23478372
N-[4-[(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)amino]phenyl]acetamide
CID 23480000
6-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)-5-nitropyrimidin-4-amine
CID 22532016
2-[6-(3,5-dimethylpyrazol-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine
CID 22530763
ethyl 3-[(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)amino]benzoate
CID 23480002

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-6-naphthalen-1-yloxy-5-nitropyrimidine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-6-naphthalen-1-yloxy-5-nitropyrimidine (CID 23480045) is 4-(3,5-dimethylpyrazol-1-yl)-6-naphthalen-1-yloxy-5-nitropyrimidine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-6-naphthalen-1-yloxy-5-nitropyrimidine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-6-naphthalen-1-yloxy-5-nitropyrimidine is Cc1cc(C)n(-c2ncnc(Oc3cccc4ccccc34)c2[N+](=O)[O-])n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-6-naphthalen-1-yloxy-5-nitropyrimidine?
The InChIKey is DRINEUNKWGKMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3/c1-12-10-13(2)23(22-12)18-17(24(25)26)19(21-11-20-18)27-16-9-5-7-14-6-3-4-8-15(14)16/h3-11H,1-2H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-6-naphthalen-1-yloxy-5-nitropyrimidine?
4-(3,5-dimethylpyrazol-1-yl)-6-naphthalen-1-yloxy-5-nitropyrimidine has a molecular weight of 361.36 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-6-naphthalen-1-yloxy-5-nitropyrimidine is sourced from PubChem (CID 23480045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).