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

C10H18N4O3 — CID 66013849

IUPAC2-[ethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethanol
SMILESCCc1nn(C)c(N(CC)CCO)c1[N+](=O)[O-]
InChIInChI=1S/C10H18N4O3/c1-4-8-9(14(16)17)10(12(3)11-8)13(5-2)6-7-15/h15H,4-7H2,1-3H3
InChIKeyCYVXVQRPMYLNCM-UHFFFAOYSA-N
MW242.28 g/mol
LogP0.71
Rot. Bonds6

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

2-[ethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethanol (PubChem CID 66013849) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[ethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethanol
PubChem CID66013849
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name2-[ethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethanol
SMILESCCc1nn(C)c(N(CC)CCO)c1[N+](=O)[O-]
InChIInChI=1S/C10H18N4O3/c1-4-8-9(14(16)17)10(12(3)11-8)13(5-2)6-7-15/h15H,4-7H2,1-3H3
InChIKeyCYVXVQRPMYLNCM-UHFFFAOYSA-N
XLogP0.71
TPSA84.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 50.71
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

2-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484493
2-[carboxymethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]acetic acid
CID 66015955
3-ethyl-N,N,1-trimethyl-4-nitropyrazol-5-amine
CID 130557668
3-[cyclobutyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]propan-1-ol
CID 102868690
2-[butyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]ethanol
CID 61448439
N'-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79665850
2-[ethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]-2-methylpropanoic acid
CID 66015352
2-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-methylamino]-2-methylpropanoic acid
CID 66015351
2-[cyclopropyl-(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]ethanol
CID 66017329
3-ethyl-1,5-dimethyl-4-nitropyrazole
CID 89037224
2-[carboxymethyl-(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]acetic acid
CID 66014095
N-cyclohexyl-3-ethyl-N,1-dimethyl-4-nitropyrazol-5-amine
CID 133423374

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethanol?
The IUPAC name of 2-[ethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethanol (CID 66013849) is 2-[ethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethanol.
What is the SMILES notation for 2-[ethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethanol?
The canonical SMILES for 2-[ethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethanol is CCc1nn(C)c(N(CC)CCO)c1[N+](=O)[O-].
What is the InChIKey of 2-[ethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethanol?
The InChIKey is CYVXVQRPMYLNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-4-8-9(14(16)17)10(12(3)11-8)13(5-2)6-7-15/h15H,4-7H2,1-3H3.
What are the key properties of 2-[ethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethanol?
2-[ethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethanol has a molecular weight of 242.28 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethanol is sourced from PubChem (CID 66013849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).