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

C15H22N4OS — CID 43233125

IUPAC3-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESc1csc(-c2[nH]ncc2CNCCCN2CCOCC2)c1
InChIInChI=1S/C15H22N4OS/c1-3-14(21-10-1)15-13(12-17-18-15)11-16-4-2-5-19-6-8-20-9-7-19/h1,3,10,12,16H,2,4-9,11H2,(H,17,18)
InChIKeyJVRRXCBYRTZOFF-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.95
Rot. Bonds7

About 3-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine

3-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine (PubChem CID 43233125) has the molecular formula C15H22N4OS and a molecular weight of 306.43 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
PubChem CID43233125
Molecular FormulaC15H22N4OS
Molecular Weight306.43 g/mol
Exact Mass306.15
IUPAC Name3-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESc1csc(-c2[nH]ncc2CNCCCN2CCOCC2)c1
InChIInChI=1S/C15H22N4OS/c1-3-14(21-10-1)15-13(12-17-18-15)11-16-4-2-5-19-6-8-20-9-7-19/h1,3,10,12,16H,2,4-9,11H2,(H,17,18)
InChIKeyJVRRXCBYRTZOFF-UHFFFAOYSA-N
XLogP1.95
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine (CID 43233125) is 3-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine is c1csc(-c2[nH]ncc2CNCCCN2CCOCC2)c1.
What is the InChIKey of 3-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is JVRRXCBYRTZOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-3-14(21-10-1)15-13(12-17-18-15)11-16-4-2-5-19-6-8-20-9-7-19/h1,3,10,12,16H,2,4-9,11H2,(H,17,18).
What are the key properties of 3-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine?
3-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 306.43 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 43233125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).