2-[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyphenyl]ethanol

C14H17N3O4 — CID 107709674

IUPAC2-[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyphenyl]ethanol
SMILESCCc1nn(C)c(Oc2ccc(CCO)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C14H17N3O4/c1-3-12-13(17(19)20)14(16(2)15-12)21-11-6-4-10(5-7-11)8-9-18/h4-7,18H,3,8-9H2,1-2H3
InChIKeyIUAOGNLNQUWBDB-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.22
Rot. Bonds6

About 2-[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyphenyl]ethanol

2-[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyphenyl]ethanol (PubChem CID 107709674) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyphenyl]ethanol.

Molecular Properties

Compound Name2-[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyphenyl]ethanol
PubChem CID107709674
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyphenyl]ethanol
SMILESCCc1nn(C)c(Oc2ccc(CCO)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C14H17N3O4/c1-3-12-13(17(19)20)14(16(2)15-12)21-11-6-4-10(5-7-11)8-9-18/h4-7,18H,3,8-9H2,1-2H3
InChIKeyIUAOGNLNQUWBDB-UHFFFAOYSA-N
XLogP2.22
TPSA90.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.22
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'}

Analyze 2-[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyphenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxyphenyl]methanol
CID 79870004
3-ethyl-5-(2-iodophenoxy)-1-methyl-4-nitropyrazole
CID 66016742
5-(3-bromo-5-fluorophenoxy)-3-ethyl-1-methyl-4-nitropyrazole
CID 81332452
4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxyphenol
CID 66028601
4-[2-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethyl]phenol
CID 66015387
2-[4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]ethanol
CID 107709326
3-methyl-5-(1-methyl-4-nitro-3-propylpyrazol-5-yl)oxyphenol
CID 107680440
5-(2-bromo-4-fluorophenoxy)-3-ethyl-1-methyl-4-nitropyrazole
CID 66016157
2-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 107709411
[4-(4-amino-1-methyl-3-propylpyrazol-5-yl)oxyphenyl]methanol
CID 66019121
2-[4-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]phenyl]ethanol
CID 106544706
3-ethyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1-methyl-4-nitropyrazol-5-amine
CID 133441121

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyphenyl]ethanol?
The IUPAC name of 2-[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyphenyl]ethanol (CID 107709674) is 2-[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyphenyl]ethanol.
What is the SMILES notation for 2-[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyphenyl]ethanol?
The canonical SMILES for 2-[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyphenyl]ethanol is CCc1nn(C)c(Oc2ccc(CCO)cc2)c1[N+](=O)[O-].
What is the InChIKey of 2-[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyphenyl]ethanol?
The InChIKey is IUAOGNLNQUWBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-3-12-13(17(19)20)14(16(2)15-12)21-11-6-4-10(5-7-11)8-9-18/h4-7,18H,3,8-9H2,1-2H3.
What are the key properties of 2-[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyphenyl]ethanol?
2-[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyphenyl]ethanol has a molecular weight of 291.31 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyphenyl]ethanol is sourced from PubChem (CID 107709674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).