1-[1-(dimethylamino)propan-2-ylamino]-3-(4-nitropyrazol-1-yl)propan-2-ol

C11H21N5O3 — CID 82938606

IUPAC1-[1-(dimethylamino)propan-2-ylamino]-3-(4-nitropyrazol-1-yl)propan-2-ol
SMILESCC(CN(C)C)NCC(O)Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C11H21N5O3/c1-9(6-14(2)3)12-5-11(17)8-15-7-10(4-13-15)16(18)19/h4,7,9,11-12,17H,5-6,8H2,1-3H3
InChIKeyIAHNYXZGBHSHDT-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.31
Rot. Bonds8

About 1-[1-(dimethylamino)propan-2-ylamino]-3-(4-nitropyrazol-1-yl)propan-2-ol

1-[1-(dimethylamino)propan-2-ylamino]-3-(4-nitropyrazol-1-yl)propan-2-ol (PubChem CID 82938606) has the molecular formula C11H21N5O3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[1-(dimethylamino)propan-2-ylamino]-3-(4-nitropyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[1-(dimethylamino)propan-2-ylamino]-3-(4-nitropyrazol-1-yl)propan-2-ol
PubChem CID82938606
Molecular FormulaC11H21N5O3
Molecular Weight271.32 g/mol
Exact Mass271.16
IUPAC Name1-[1-(dimethylamino)propan-2-ylamino]-3-(4-nitropyrazol-1-yl)propan-2-ol
SMILESCC(CN(C)C)NCC(O)Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C11H21N5O3/c1-9(6-14(2)3)12-5-11(17)8-15-7-10(4-13-15)16(18)19/h4,7,9,11-12,17H,5-6,8H2,1-3H3
InChIKeyIAHNYXZGBHSHDT-UHFFFAOYSA-N
XLogP-0.31
TPSA96.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

1-(4-nitropyrazol-1-yl)-3-(propan-2-ylamino)propan-2-ol
CID 43166033
1-(3-methylbutan-2-ylamino)-3-(4-nitropyrazol-1-yl)propan-2-ol
CID 60899857
1-(4-methoxybutan-2-ylamino)-3-(4-nitropyrazol-1-yl)propan-2-ol
CID 64604238
1-[(3-methyl-2-propan-2-ylbutyl)amino]-3-(4-nitropyrazol-1-yl)propan-2-ol
CID 102905334
1-(4-nitropyrazol-1-yl)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol
CID 79358249
1-[3-[methyl(propan-2-yl)amino]propylamino]-3-(4-nitropyrazol-1-yl)propan-2-ol
CID 106045624
1-[1-(5-methylfuran-2-yl)ethylamino]-3-(4-nitropyrazol-1-yl)propan-2-ol
CID 61039269
1-(4-nitropyrazol-1-yl)-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760165
1-[2-[ethyl(methyl)amino]ethylamino]-3-(4-nitropyrazol-1-yl)propan-2-ol
CID 62636618
1-(4-nitropyrazol-1-yl)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62840329
3-[[2-hydroxy-3-(4-nitropyrazol-1-yl)propyl]amino]-2,3-dimethylbutan-2-ol
CID 103911913
1-(2-aminoethylamino)-3-(4-nitropyrazol-1-yl)propan-2-ol
CID 62141291

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)propan-2-ylamino]-3-(4-nitropyrazol-1-yl)propan-2-ol?
The IUPAC name of 1-[1-(dimethylamino)propan-2-ylamino]-3-(4-nitropyrazol-1-yl)propan-2-ol (CID 82938606) is 1-[1-(dimethylamino)propan-2-ylamino]-3-(4-nitropyrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-[1-(dimethylamino)propan-2-ylamino]-3-(4-nitropyrazol-1-yl)propan-2-ol?
The canonical SMILES for 1-[1-(dimethylamino)propan-2-ylamino]-3-(4-nitropyrazol-1-yl)propan-2-ol is CC(CN(C)C)NCC(O)Cn1cc([N+](=O)[O-])cn1.
What is the InChIKey of 1-[1-(dimethylamino)propan-2-ylamino]-3-(4-nitropyrazol-1-yl)propan-2-ol?
The InChIKey is IAHNYXZGBHSHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O3/c1-9(6-14(2)3)12-5-11(17)8-15-7-10(4-13-15)16(18)19/h4,7,9,11-12,17H,5-6,8H2,1-3H3.
What are the key properties of 1-[1-(dimethylamino)propan-2-ylamino]-3-(4-nitropyrazol-1-yl)propan-2-ol?
1-[1-(dimethylamino)propan-2-ylamino]-3-(4-nitropyrazol-1-yl)propan-2-ol has a molecular weight of 271.32 g/mol, XLogP of -0.31, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)propan-2-ylamino]-3-(4-nitropyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 82938606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).