1-(4-aminopyrazol-1-yl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol

C12H18N4OS — CID 43527223

IUPAC1-(4-aminopyrazol-1-yl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol
SMILESCN(Cc1cccs1)CC(O)Cn1cc(N)cn1
InChIInChI=1S/C12H18N4OS/c1-15(9-12-3-2-4-18-12)7-11(17)8-16-6-10(13)5-14-16/h2-6,11,17H,7-9,13H2,1H3
InChIKeyWVPLBIMBYYPZND-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.02
Rot. Bonds6

About 1-(4-aminopyrazol-1-yl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol

1-(4-aminopyrazol-1-yl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol (PubChem CID 43527223) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-(4-aminopyrazol-1-yl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-aminopyrazol-1-yl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol
PubChem CID43527223
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name1-(4-aminopyrazol-1-yl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol
SMILESCN(Cc1cccs1)CC(O)Cn1cc(N)cn1
InChIInChI=1S/C12H18N4OS/c1-15(9-12-3-2-4-18-12)7-11(17)8-16-6-10(13)5-14-16/h2-6,11,17H,7-9,13H2,1H3
InChIKeyWVPLBIMBYYPZND-UHFFFAOYSA-N
XLogP1.02
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopyrazol-1-yl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1-(4-aminopyrazol-1-yl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol (CID 43527223) is 1-(4-aminopyrazol-1-yl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-aminopyrazol-1-yl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1-(4-aminopyrazol-1-yl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol is CN(Cc1cccs1)CC(O)Cn1cc(N)cn1.
What is the InChIKey of 1-(4-aminopyrazol-1-yl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol?
The InChIKey is WVPLBIMBYYPZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-15(9-12-3-2-4-18-12)7-11(17)8-16-6-10(13)5-14-16/h2-6,11,17H,7-9,13H2,1H3.
What are the key properties of 1-(4-aminopyrazol-1-yl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol?
1-(4-aminopyrazol-1-yl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol has a molecular weight of 266.37 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopyrazol-1-yl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 43527223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).