1-(4-nitropyrazol-1-yl)-3-(thiophen-3-ylamino)propan-2-ol

C10H12N4O3S — CID 66351697

IUPAC1-(4-nitropyrazol-1-yl)-3-(thiophen-3-ylamino)propan-2-ol
SMILESO=[N+]([O-])c1cnn(CC(O)CNc2ccsc2)c1
InChIInChI=1S/C10H12N4O3S/c15-10(4-11-8-1-2-18-7-8)6-13-5-9(3-12-13)14(16)17/h1-3,5,7,10-11,15H,4,6H2
InChIKeyNLYBWSAAUVMHLA-UHFFFAOYSA-N
MW268.30 g/mol
LogP1.33
Rot. Bonds6

About 1-(4-nitropyrazol-1-yl)-3-(thiophen-3-ylamino)propan-2-ol

1-(4-nitropyrazol-1-yl)-3-(thiophen-3-ylamino)propan-2-ol (PubChem CID 66351697) has the molecular formula C10H12N4O3S and a molecular weight of 268.30 g/mol. Its IUPAC name is 1-(4-nitropyrazol-1-yl)-3-(thiophen-3-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-nitropyrazol-1-yl)-3-(thiophen-3-ylamino)propan-2-ol
PubChem CID66351697
Molecular FormulaC10H12N4O3S
Molecular Weight268.30 g/mol
Exact Mass268.06
IUPAC Name1-(4-nitropyrazol-1-yl)-3-(thiophen-3-ylamino)propan-2-ol
SMILESO=[N+]([O-])c1cnn(CC(O)CNc2ccsc2)c1
InChIInChI=1S/C10H12N4O3S/c15-10(4-11-8-1-2-18-7-8)6-13-5-9(3-12-13)14(16)17/h1-3,5,7,10-11,15H,4,6H2
InChIKeyNLYBWSAAUVMHLA-UHFFFAOYSA-N
XLogP1.33
TPSA93.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 51.33
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-(2-methoxyethyl)-N-[(5-nitrothiophen-3-yl)methyl]pyrazol-4-amine
CID 54921261
1-(4-Nitropyrazol-1-yl)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60900852
1-(4-Nitropyrazol-1-yl)-3-(2-thiophen-2-ylethylamino)propan-2-ol
CID 60902017
1-(4-Nitropyrazol-1-yl)-3-(1-thiophen-2-ylethylamino)propan-2-ol
CID 60910042
1-(4-Nitropyrazol-1-yl)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol
CID 61473746
1-(4-Nitropyrazol-1-yl)-3-(2-thiophen-3-ylethylamino)propan-2-ol
CID 61474064
1-(4-Nitropyrazol-1-yl)-3-(1-thiophen-2-ylpropylamino)propan-2-ol
CID 61506716
1-[(5-Methylthiophen-2-yl)methylamino]-3-(4-nitropyrazol-1-yl)propan-2-ol
CID 62056205
1-(4-Nitropyrazol-1-yl)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62840329
1-(4-Nitropyrazol-1-yl)-3-(thiophen-3-ylmethylamino)propan-2-ol
CID 63248025
1-(4-Nitropyrazol-1-yl)-3-(1-thiophen-2-ylpropan-2-ylamino)propan-2-ol
CID 63291497
1-(3,5-Dimethyl-4-nitropyrazol-1-yl)-3-(thiophen-3-ylamino)propan-2-ol
CID 66350622

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitropyrazol-1-yl)-3-(thiophen-3-ylamino)propan-2-ol?
The IUPAC name of 1-(4-nitropyrazol-1-yl)-3-(thiophen-3-ylamino)propan-2-ol (CID 66351697) is 1-(4-nitropyrazol-1-yl)-3-(thiophen-3-ylamino)propan-2-ol.
What is the SMILES notation for 1-(4-nitropyrazol-1-yl)-3-(thiophen-3-ylamino)propan-2-ol?
The canonical SMILES for 1-(4-nitropyrazol-1-yl)-3-(thiophen-3-ylamino)propan-2-ol is O=[N+]([O-])c1cnn(CC(O)CNc2ccsc2)c1.
What is the InChIKey of 1-(4-nitropyrazol-1-yl)-3-(thiophen-3-ylamino)propan-2-ol?
The InChIKey is NLYBWSAAUVMHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S/c15-10(4-11-8-1-2-18-7-8)6-13-5-9(3-12-13)14(16)17/h1-3,5,7,10-11,15H,4,6H2.
What are the key properties of 1-(4-nitropyrazol-1-yl)-3-(thiophen-3-ylamino)propan-2-ol?
1-(4-nitropyrazol-1-yl)-3-(thiophen-3-ylamino)propan-2-ol has a molecular weight of 268.30 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitropyrazol-1-yl)-3-(thiophen-3-ylamino)propan-2-ol is sourced from PubChem (CID 66351697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).