1-[1-(5-methylthiophen-2-yl)ethylamino]-3-pyrazol-1-ylpropan-2-ol

C13H19N3OS — CID 54952701

IUPAC1-[1-(5-methylthiophen-2-yl)ethylamino]-3-pyrazol-1-ylpropan-2-ol
SMILESCc1ccc(C(C)NCC(O)Cn2cccn2)s1
InChIInChI=1S/C13H19N3OS/c1-10-4-5-13(18-10)11(2)14-8-12(17)9-16-7-3-6-15-16/h3-7,11-12,14,17H,8-9H2,1-2H3
InChIKeyAPPXDSCUPTUNAY-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.96
Rot. Bonds6

About 1-[1-(5-methylthiophen-2-yl)ethylamino]-3-pyrazol-1-ylpropan-2-ol

1-[1-(5-methylthiophen-2-yl)ethylamino]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 54952701) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-[1-(5-methylthiophen-2-yl)ethylamino]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[1-(5-methylthiophen-2-yl)ethylamino]-3-pyrazol-1-ylpropan-2-ol
PubChem CID54952701
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name1-[1-(5-methylthiophen-2-yl)ethylamino]-3-pyrazol-1-ylpropan-2-ol
SMILESCc1ccc(C(C)NCC(O)Cn2cccn2)s1
InChIInChI=1S/C13H19N3OS/c1-10-4-5-13(18-10)11(2)14-8-12(17)9-16-7-3-6-15-16/h3-7,11-12,14,17H,8-9H2,1-2H3
InChIKeyAPPXDSCUPTUNAY-UHFFFAOYSA-N
XLogP1.96
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methylthiophen-2-yl)ethylamino]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-[1-(5-methylthiophen-2-yl)ethylamino]-3-pyrazol-1-ylpropan-2-ol (CID 54952701) is 1-[1-(5-methylthiophen-2-yl)ethylamino]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-[1-(5-methylthiophen-2-yl)ethylamino]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-[1-(5-methylthiophen-2-yl)ethylamino]-3-pyrazol-1-ylpropan-2-ol is Cc1ccc(C(C)NCC(O)Cn2cccn2)s1.
What is the InChIKey of 1-[1-(5-methylthiophen-2-yl)ethylamino]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is APPXDSCUPTUNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-10-4-5-13(18-10)11(2)14-8-12(17)9-16-7-3-6-15-16/h3-7,11-12,14,17H,8-9H2,1-2H3.
What are the key properties of 1-[1-(5-methylthiophen-2-yl)ethylamino]-3-pyrazol-1-ylpropan-2-ol?
1-[1-(5-methylthiophen-2-yl)ethylamino]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 265.38 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methylthiophen-2-yl)ethylamino]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 54952701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).