4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxyphenol

C13H15N3O4 — CID 66028601

IUPAC4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxyphenol
SMILESCCCn1nc(C)c([N+](=O)[O-])c1Oc1ccc(O)cc1
InChIInChI=1S/C13H15N3O4/c1-3-8-15-13(12(16(18)19)9(2)14-15)20-11-6-4-10(17)5-7-11/h4-7,17H,3,8H2,1-2H3
InChIKeyYYOSDJGTJXYDJU-UHFFFAOYSA-N
MW277.28 g/mol
LogP3.01
Rot. Bonds5

About 4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxyphenol

4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxyphenol (PubChem CID 66028601) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxyphenol.

Molecular Properties

Compound Name4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxyphenol
PubChem CID66028601
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxyphenol
SMILESCCCn1nc(C)c([N+](=O)[O-])c1Oc1ccc(O)cc1
InChIInChI=1S/C13H15N3O4/c1-3-8-15-13(12(16(18)19)9(2)14-15)20-11-6-4-10(17)5-7-11/h4-7,17H,3,8H2,1-2H3
InChIKeyYYOSDJGTJXYDJU-UHFFFAOYSA-N
XLogP3.01
TPSA90.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
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

[4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxyphenyl]methanol
CID 79870004
N-methyl-4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxyaniline
CID 66029957
2-methyl-3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxyphenol
CID 66028409
3-bromo-5-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxypyridine
CID 66012912
O-(3-methyl-4-nitro-1-propylpyrazol-5-yl)hydroxylamine
CID 79427038
ethyl 3-methyl-4-nitro-1-propylpyrazole-5-carboxylate
CID 71650999
3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxycyclobutan-1-amine
CID 66029010
2-[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyphenyl]ethanol
CID 107709674
3-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxy-N-propan-2-ylpropan-1-amine
CID 66027269
N-[2-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxyethyl]propan-2-amine
CID 66027077
4-[2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]ethyl]phenol
CID 66011621
3-methyl-5-(1-methyl-4-nitro-3-propylpyrazol-5-yl)oxyphenol
CID 107680440

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxyphenol?
The IUPAC name of 4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxyphenol (CID 66028601) is 4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxyphenol.
What is the SMILES notation for 4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxyphenol?
The canonical SMILES for 4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxyphenol is CCCn1nc(C)c([N+](=O)[O-])c1Oc1ccc(O)cc1.
What is the InChIKey of 4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxyphenol?
The InChIKey is YYOSDJGTJXYDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-3-8-15-13(12(16(18)19)9(2)14-15)20-11-6-4-10(17)5-7-11/h4-7,17H,3,8H2,1-2H3.
What are the key properties of 4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxyphenol?
4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxyphenol has a molecular weight of 277.28 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxyphenol is sourced from PubChem (CID 66028601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).