2-[(1,5-dimethyl-4-nitropyrazol-3-yl)amino]ethanol

C7H12N4O3 — CID 3591302

IUPAC2-[(1,5-dimethyl-4-nitropyrazol-3-yl)amino]ethanol
SMILESCc1c([N+](=O)[O-])c(NCCO)nn1C
InChIInChI=1S/C7H12N4O3/c1-5-6(11(13)14)7(8-3-4-12)9-10(5)2/h12H,3-4H2,1-2H3,(H,8,9)
InChIKeyUQNIGAUTLLNWIH-UHFFFAOYSA-N
MW200.20 g/mol
LogP0.04
Rot. Bonds4

About 2-[(1,5-dimethyl-4-nitropyrazol-3-yl)amino]ethanol

2-[(1,5-dimethyl-4-nitropyrazol-3-yl)amino]ethanol (PubChem CID 3591302) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is 2-[(1,5-dimethyl-4-nitropyrazol-3-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(1,5-dimethyl-4-nitropyrazol-3-yl)amino]ethanol
PubChem CID3591302
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC Name2-[(1,5-dimethyl-4-nitropyrazol-3-yl)amino]ethanol
SMILESCc1c([N+](=O)[O-])c(NCCO)nn1C
InChIInChI=1S/C7H12N4O3/c1-5-6(11(13)14)7(8-3-4-12)9-10(5)2/h12H,3-4H2,1-2H3,(H,8,9)
InChIKeyUQNIGAUTLLNWIH-UHFFFAOYSA-N
XLogP0.04
TPSA93.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 50.04
H-Bond Donors ≤ 52
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-[[2-(ethylamino)-6-methyl-5-nitropyrimidin-4-yl]amino]ethanol
CID 114044118
2-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]ethanol
CID 66017659
5-chloro-4-(2-hydroxyethylamino)-2-methyl-6-nitropyridazin-3-one
CID 101137971
3-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]propan-1-ol
CID 43554268
3-ethyl-1,5-dimethyl-4-nitropyrazole
CID 89037224
N-[3-(dimethylamino)propyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19266489
2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 65439508
5-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-1-ol
CID 107318026
1,5-dimethyl-4-nitro-N-[(4-nitrophenyl)methylideneamino]pyrazol-3-amine
CID 3774421
2-[(4-methyl-3-nitropyridin-1-ium-2-yl)amino]ethanol
CID 7241155
2-(1,5-dimethyl-4-nitropyrazol-3-yl)-N,N-dimethylethenamine
CID 2805422
2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 19529035

Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dimethyl-4-nitropyrazol-3-yl)amino]ethanol?
The IUPAC name of 2-[(1,5-dimethyl-4-nitropyrazol-3-yl)amino]ethanol (CID 3591302) is 2-[(1,5-dimethyl-4-nitropyrazol-3-yl)amino]ethanol.
What is the SMILES notation for 2-[(1,5-dimethyl-4-nitropyrazol-3-yl)amino]ethanol?
The canonical SMILES for 2-[(1,5-dimethyl-4-nitropyrazol-3-yl)amino]ethanol is Cc1c([N+](=O)[O-])c(NCCO)nn1C.
What is the InChIKey of 2-[(1,5-dimethyl-4-nitropyrazol-3-yl)amino]ethanol?
The InChIKey is UQNIGAUTLLNWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c1-5-6(11(13)14)7(8-3-4-12)9-10(5)2/h12H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 2-[(1,5-dimethyl-4-nitropyrazol-3-yl)amino]ethanol?
2-[(1,5-dimethyl-4-nitropyrazol-3-yl)amino]ethanol has a molecular weight of 200.20 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethyl-4-nitropyrazol-3-yl)amino]ethanol is sourced from PubChem (CID 3591302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).