1-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine

C15H22N4OS — CID 43779508

IUPAC1-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine
SMILESCC(CN1CCOCC1)NCc1cn[nH]c1-c1cccs1
InChIInChI=1S/C15H22N4OS/c1-12(11-19-4-6-20-7-5-19)16-9-13-10-17-18-15(13)14-3-2-8-21-14/h2-3,8,10,12,16H,4-7,9,11H2,1H3,(H,17,18)
InChIKeyAQLAWHZREOLBIA-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.95
Rot. Bonds6

About 1-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine

1-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine (PubChem CID 43779508) has the molecular formula C15H22N4OS and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine
PubChem CID43779508
Molecular FormulaC15H22N4OS
Molecular Weight306.43 g/mol
Exact Mass306.15
IUPAC Name1-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine
SMILESCC(CN1CCOCC1)NCc1cn[nH]c1-c1cccs1
InChIInChI=1S/C15H22N4OS/c1-12(11-19-4-6-20-7-5-19)16-9-13-10-17-18-15(13)14-3-2-8-21-14/h2-3,8,10,12,16H,4-7,9,11H2,1H3,(H,17,18)
InChIKeyAQLAWHZREOLBIA-UHFFFAOYSA-N
XLogP1.95
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of 1-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine (CID 43779508) is 1-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for 1-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine is CC(CN1CCOCC1)NCc1cn[nH]c1-c1cccs1.
What is the InChIKey of 1-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is AQLAWHZREOLBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-12(11-19-4-6-20-7-5-19)16-9-13-10-17-18-15(13)14-3-2-8-21-14/h2-3,8,10,12,16H,4-7,9,11H2,1H3,(H,17,18).
What are the key properties of 1-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine?
1-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 306.43 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 43779508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).