2-[cyclopropyl-(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]ethanol

C12H20N4O3 — CID 66017329

IUPAC2-[cyclopropyl-(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]ethanol
SMILESCCCc1nn(C)c(N(CCO)C2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C12H20N4O3/c1-3-4-10-11(16(18)19)12(14(2)13-10)15(7-8-17)9-5-6-9/h9,17H,3-8H2,1-2H3
InChIKeyYBSNTUOJWMPLKC-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.24
Rot. Bonds7

About 2-[cyclopropyl-(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]ethanol

2-[cyclopropyl-(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]ethanol (PubChem CID 66017329) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[cyclopropyl-(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropyl-(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]ethanol
PubChem CID66017329
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name2-[cyclopropyl-(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]ethanol
SMILESCCCc1nn(C)c(N(CCO)C2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C12H20N4O3/c1-3-4-10-11(16(18)19)12(14(2)13-10)15(7-8-17)9-5-6-9/h9,17H,3-8H2,1-2H3
InChIKeyYBSNTUOJWMPLKC-UHFFFAOYSA-N
XLogP1.24
TPSA84.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.24
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

3-[cyclobutyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]propan-1-ol
CID 102868690
1-methyl-4-nitro-N,3-dipropyl-N-pyrrolidin-3-ylpyrazol-5-amine
CID 66018288
4-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-N-propylcyclohexane-1,4-diamine
CID 79117680
2-[carboxymethyl-(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]acetic acid
CID 66014095
2-[ethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethanol
CID 66013849
N-(azetidin-3-yl)-N,3-diethyl-1-methyl-4-nitropyrazol-5-amine
CID 66182633
2-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)-propan-2-ylamino]acetic acid
CID 66016278
2-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]ethanol
CID 66017659
4-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-N-ethylcyclohexane-1,4-diamine
CID 79111620
2-[cyclopropyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]acetic acid
CID 54945668
N-cyclohexyl-3-ethyl-N,1-dimethyl-4-nitropyrazol-5-amine
CID 133423374
3-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)-propan-2-ylamino]propanenitrile
CID 66016667

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]ethanol?
The IUPAC name of 2-[cyclopropyl-(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]ethanol (CID 66017329) is 2-[cyclopropyl-(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]ethanol.
What is the SMILES notation for 2-[cyclopropyl-(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]ethanol?
The canonical SMILES for 2-[cyclopropyl-(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]ethanol is CCCc1nn(C)c(N(CCO)C2CC2)c1[N+](=O)[O-].
What is the InChIKey of 2-[cyclopropyl-(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]ethanol?
The InChIKey is YBSNTUOJWMPLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-3-4-10-11(16(18)19)12(14(2)13-10)15(7-8-17)9-5-6-9/h9,17H,3-8H2,1-2H3.
What are the key properties of 2-[cyclopropyl-(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]ethanol?
2-[cyclopropyl-(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]ethanol has a molecular weight of 268.32 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]ethanol is sourced from PubChem (CID 66017329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).