1-(4-nitropyrazol-1-yl)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol

C13H22N4O3 — CID 79358249

IUPAC1-(4-nitropyrazol-1-yl)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol
SMILESCC1(C)C(NCC(O)Cn2cc([N+](=O)[O-])cn2)C1(C)C
InChIInChI=1S/C13H22N4O3/c1-12(2)11(13(12,3)4)14-6-10(18)8-16-7-9(5-15-16)17(19)20/h5,7,10-11,14,18H,6,8H2,1-4H3
InChIKeyFKBCKHNITRIHGM-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.18
Rot. Bonds6

About 1-(4-nitropyrazol-1-yl)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol

1-(4-nitropyrazol-1-yl)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol (PubChem CID 79358249) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(4-nitropyrazol-1-yl)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-nitropyrazol-1-yl)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol
PubChem CID79358249
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name1-(4-nitropyrazol-1-yl)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol
SMILESCC1(C)C(NCC(O)Cn2cc([N+](=O)[O-])cn2)C1(C)C
InChIInChI=1S/C13H22N4O3/c1-12(2)11(13(12,3)4)14-6-10(18)8-16-7-9(5-15-16)17(19)20/h5,7,10-11,14,18H,6,8H2,1-4H3
InChIKeyFKBCKHNITRIHGM-UHFFFAOYSA-N
XLogP1.18
TPSA93.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.18
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

1-(4-nitropyrazol-1-yl)-3-(propan-2-ylamino)propan-2-ol
CID 43166033
1-(cyclooctylamino)-3-(4-nitropyrazol-1-yl)propan-2-ol
CID 60897516
1-[(3-methylcyclopentyl)amino]-3-(4-nitropyrazol-1-yl)propan-2-ol
CID 114545822
1-[(1,1-dioxothian-4-yl)amino]-3-(4-nitropyrazol-1-yl)propan-2-ol
CID 60908593
1-(3-methylbutan-2-ylamino)-3-(4-nitropyrazol-1-yl)propan-2-ol
CID 60899857
1-[(3-methyl-2-propan-2-ylbutyl)amino]-3-(4-nitropyrazol-1-yl)propan-2-ol
CID 102905334
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
3-[[2-hydroxy-3-(4-nitropyrazol-1-yl)propyl]amino]-2,2-dimethylpropan-1-ol
CID 115359792
1-(4-nitropyrazol-1-yl)-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760165
1-[1-(dimethylamino)propan-2-ylamino]-3-(4-nitropyrazol-1-yl)propan-2-ol
CID 82938606
1-chloro-3-(4-nitropyrazol-1-yl)propan-2-ol
CID 112560108

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitropyrazol-1-yl)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol?
The IUPAC name of 1-(4-nitropyrazol-1-yl)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol (CID 79358249) is 1-(4-nitropyrazol-1-yl)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-nitropyrazol-1-yl)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol?
The canonical SMILES for 1-(4-nitropyrazol-1-yl)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol is CC1(C)C(NCC(O)Cn2cc([N+](=O)[O-])cn2)C1(C)C.
What is the InChIKey of 1-(4-nitropyrazol-1-yl)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol?
The InChIKey is FKBCKHNITRIHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-12(2)11(13(12,3)4)14-6-10(18)8-16-7-9(5-15-16)17(19)20/h5,7,10-11,14,18H,6,8H2,1-4H3.
What are the key properties of 1-(4-nitropyrazol-1-yl)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol?
1-(4-nitropyrazol-1-yl)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol has a molecular weight of 282.34 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitropyrazol-1-yl)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol is sourced from PubChem (CID 79358249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).