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

C12H17N3OS — CID 54938567

IUPAC1-pyrazol-1-yl-3-(1-thiophen-2-ylethylamino)propan-2-ol
SMILESCC(NCC(O)Cn1cccn1)c1cccs1
InChIInChI=1S/C12H17N3OS/c1-10(12-4-2-7-17-12)13-8-11(16)9-15-6-3-5-14-15/h2-7,10-11,13,16H,8-9H2,1H3
InChIKeyUFFNWXOHTDYAAY-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.66
Rot. Bonds6

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

1-pyrazol-1-yl-3-(1-thiophen-2-ylethylamino)propan-2-ol (PubChem CID 54938567) has the molecular formula C12H17N3OS and a molecular weight of 251.36 g/mol. Its IUPAC name is 1-pyrazol-1-yl-3-(1-thiophen-2-ylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-pyrazol-1-yl-3-(1-thiophen-2-ylethylamino)propan-2-ol
PubChem CID54938567
Molecular FormulaC12H17N3OS
Molecular Weight251.36 g/mol
Exact Mass251.11
IUPAC Name1-pyrazol-1-yl-3-(1-thiophen-2-ylethylamino)propan-2-ol
SMILESCC(NCC(O)Cn1cccn1)c1cccs1
InChIInChI=1S/C12H17N3OS/c1-10(12-4-2-7-17-12)13-8-11(16)9-15-6-3-5-14-15/h2-7,10-11,13,16H,8-9H2,1H3
InChIKeyUFFNWXOHTDYAAY-UHFFFAOYSA-N
XLogP1.66
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazol-1-yl-3-(1-thiophen-2-ylethylamino)propan-2-ol?
The IUPAC name of 1-pyrazol-1-yl-3-(1-thiophen-2-ylethylamino)propan-2-ol (CID 54938567) is 1-pyrazol-1-yl-3-(1-thiophen-2-ylethylamino)propan-2-ol.
What is the SMILES notation for 1-pyrazol-1-yl-3-(1-thiophen-2-ylethylamino)propan-2-ol?
The canonical SMILES for 1-pyrazol-1-yl-3-(1-thiophen-2-ylethylamino)propan-2-ol is CC(NCC(O)Cn1cccn1)c1cccs1.
What is the InChIKey of 1-pyrazol-1-yl-3-(1-thiophen-2-ylethylamino)propan-2-ol?
The InChIKey is UFFNWXOHTDYAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-10(12-4-2-7-17-12)13-8-11(16)9-15-6-3-5-14-15/h2-7,10-11,13,16H,8-9H2,1H3.
What are the key properties of 1-pyrazol-1-yl-3-(1-thiophen-2-ylethylamino)propan-2-ol?
1-pyrazol-1-yl-3-(1-thiophen-2-ylethylamino)propan-2-ol has a molecular weight of 251.36 g/mol, XLogP of 1.66, 6 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-ylethylamino)propan-2-ol is sourced from PubChem (CID 54938567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).