1-pyrazol-1-yl-3-(1-thiophen-2-ylpropylamino)propan-2-ol

C13H19N3OS — CID 54964467

IUPAC1-pyrazol-1-yl-3-(1-thiophen-2-ylpropylamino)propan-2-ol
SMILESCCC(NCC(O)Cn1cccn1)c1cccs1
InChIInChI=1S/C13H19N3OS/c1-2-12(13-5-3-8-18-13)14-9-11(17)10-16-7-4-6-15-16/h3-8,11-12,14,17H,2,9-10H2,1H3
InChIKeyAQVAUYLJJMIZEA-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.05
Rot. Bonds7

About 1-pyrazol-1-yl-3-(1-thiophen-2-ylpropylamino)propan-2-ol

1-pyrazol-1-yl-3-(1-thiophen-2-ylpropylamino)propan-2-ol (PubChem CID 54964467) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-pyrazol-1-yl-3-(1-thiophen-2-ylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1-pyrazol-1-yl-3-(1-thiophen-2-ylpropylamino)propan-2-ol
PubChem CID54964467
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name1-pyrazol-1-yl-3-(1-thiophen-2-ylpropylamino)propan-2-ol
SMILESCCC(NCC(O)Cn1cccn1)c1cccs1
InChIInChI=1S/C13H19N3OS/c1-2-12(13-5-3-8-18-13)14-9-11(17)10-16-7-4-6-15-16/h3-8,11-12,14,17H,2,9-10H2,1H3
InChIKeyAQVAUYLJJMIZEA-UHFFFAOYSA-N
XLogP2.05
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-pyrazol-1-yl-N-(1-thiophen-2-ylethyl)propanamide
CID 45802489
1-(1-Pyrazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea
CID 47220677
1-(1-Pyrazol-1-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)urea
CID 53504180
3-pyrazol-1-yl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 53526247
2-(1-pyrazol-1-ylpropan-2-ylamino)-N-(2-thiophen-2-ylethyl)acetamide
CID 53559384
1-(4-methylpyrazol-1-yl)-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 53617924
2-pyrazol-1-yl-N-(thiophen-2-ylmethyl)propanamide
CID 45808321
3-pyrazol-1-yl-N-(2-thiophen-2-ylethyl)butan-2-amine
CID 53620199
2-(2-methylmorpholin-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 72133392
2-(2-methylmorpholin-4-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 72136690
2-(2-methylmorpholin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 72142266
2-(4-{[(5-fluorothiophen-2-yl)methyl]amino}-1H-pyrazol-1-yl)ethan-1-ol
CID 122165753

Frequently Asked Questions

What is the IUPAC name of 1-pyrazol-1-yl-3-(1-thiophen-2-ylpropylamino)propan-2-ol?
The IUPAC name of 1-pyrazol-1-yl-3-(1-thiophen-2-ylpropylamino)propan-2-ol (CID 54964467) is 1-pyrazol-1-yl-3-(1-thiophen-2-ylpropylamino)propan-2-ol.
What is the SMILES notation for 1-pyrazol-1-yl-3-(1-thiophen-2-ylpropylamino)propan-2-ol?
The canonical SMILES for 1-pyrazol-1-yl-3-(1-thiophen-2-ylpropylamino)propan-2-ol is CCC(NCC(O)Cn1cccn1)c1cccs1.
What is the InChIKey of 1-pyrazol-1-yl-3-(1-thiophen-2-ylpropylamino)propan-2-ol?
The InChIKey is AQVAUYLJJMIZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-2-12(13-5-3-8-18-13)14-9-11(17)10-16-7-4-6-15-16/h3-8,11-12,14,17H,2,9-10H2,1H3.
What are the key properties of 1-pyrazol-1-yl-3-(1-thiophen-2-ylpropylamino)propan-2-ol?
1-pyrazol-1-yl-3-(1-thiophen-2-ylpropylamino)propan-2-ol has a molecular weight of 265.38 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazol-1-yl-3-(1-thiophen-2-ylpropylamino)propan-2-ol is sourced from PubChem (CID 54964467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).