4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]morpholine

C12H15N3OS — CID 53193276

IUPAC4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]morpholine
SMILESc1csc(-c2cc(CN3CCOCC3)[nH]n2)c1
InChIInChI=1S/C12H15N3OS/c1-2-12(17-7-1)11-8-10(13-14-11)9-15-3-5-16-6-4-15/h1-2,7-8H,3-6,9H2,(H,13,14)
InChIKeyBXVOJVJPPFPLFG-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.97
Rot. Bonds3

About 4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]morpholine

4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]morpholine (PubChem CID 53193276) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]morpholine
PubChem CID53193276
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]morpholine
SMILESc1csc(-c2cc(CN3CCOCC3)[nH]n2)c1
InChIInChI=1S/C12H15N3OS/c1-2-12(17-7-1)11-8-10(13-14-11)9-15-3-5-16-6-4-15/h1-2,7-8H,3-6,9H2,(H,13,14)
InChIKeyBXVOJVJPPFPLFG-UHFFFAOYSA-N
XLogP1.97
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]morpholine?
The IUPAC name of 4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]morpholine (CID 53193276) is 4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]morpholine.
What is the SMILES notation for 4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]morpholine?
The canonical SMILES for 4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]morpholine is c1csc(-c2cc(CN3CCOCC3)[nH]n2)c1.
What is the InChIKey of 4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]morpholine?
The InChIKey is BXVOJVJPPFPLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-2-12(17-7-1)11-8-10(13-14-11)9-15-3-5-16-6-4-15/h1-2,7-8H,3-6,9H2,(H,13,14).
What are the key properties of 4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]morpholine?
4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]morpholine has a molecular weight of 249.34 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]morpholine is sourced from PubChem (CID 53193276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).