N-(3-pyrazol-1-ylphenyl)thiomorpholine-4-carboxamide

C14H16N4OS — CID 47224004

IUPACN-(3-pyrazol-1-ylphenyl)thiomorpholine-4-carboxamide
SMILESO=C(Nc1cccc(-n2cccn2)c1)N1CCSCC1
InChIInChI=1S/C14H16N4OS/c19-14(17-7-9-20-10-8-17)16-12-3-1-4-13(11-12)18-6-2-5-15-18/h1-6,11H,7-10H2,(H,16,19)
InChIKeyFNCKBEZWQGKRPG-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.45
Rot. Bonds2

About N-(3-pyrazol-1-ylphenyl)thiomorpholine-4-carboxamide

N-(3-pyrazol-1-ylphenyl)thiomorpholine-4-carboxamide (PubChem CID 47224004) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is N-(3-pyrazol-1-ylphenyl)thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3-pyrazol-1-ylphenyl)thiomorpholine-4-carboxamide
PubChem CID47224004
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC NameN-(3-pyrazol-1-ylphenyl)thiomorpholine-4-carboxamide
SMILESO=C(Nc1cccc(-n2cccn2)c1)N1CCSCC1
InChIInChI=1S/C14H16N4OS/c19-14(17-7-9-20-10-8-17)16-12-3-1-4-13(11-12)18-6-2-5-15-18/h1-6,11H,7-10H2,(H,16,19)
InChIKeyFNCKBEZWQGKRPG-UHFFFAOYSA-N
XLogP2.45
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-pyrazol-1-ylphenyl)thiomorpholine-4-carboxamide?
The IUPAC name of N-(3-pyrazol-1-ylphenyl)thiomorpholine-4-carboxamide (CID 47224004) is N-(3-pyrazol-1-ylphenyl)thiomorpholine-4-carboxamide.
What is the SMILES notation for N-(3-pyrazol-1-ylphenyl)thiomorpholine-4-carboxamide?
The canonical SMILES for N-(3-pyrazol-1-ylphenyl)thiomorpholine-4-carboxamide is O=C(Nc1cccc(-n2cccn2)c1)N1CCSCC1.
What is the InChIKey of N-(3-pyrazol-1-ylphenyl)thiomorpholine-4-carboxamide?
The InChIKey is FNCKBEZWQGKRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c19-14(17-7-9-20-10-8-17)16-12-3-1-4-13(11-12)18-6-2-5-15-18/h1-6,11H,7-10H2,(H,16,19).
What are the key properties of N-(3-pyrazol-1-ylphenyl)thiomorpholine-4-carboxamide?
N-(3-pyrazol-1-ylphenyl)thiomorpholine-4-carboxamide has a molecular weight of 288.38 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrazol-1-ylphenyl)thiomorpholine-4-carboxamide is sourced from PubChem (CID 47224004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).