2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-6-thiophen-3-ylmorpholine-4-carboxamide

C15H20N4O2S — CID 75380170

IUPAC2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-6-thiophen-3-ylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)NCc2ccnn2C)CC(c2ccsc2)O1
InChIInChI=1S/C15H20N4O2S/c1-11-8-19(9-14(21-11)12-4-6-22-10-12)15(20)16-7-13-3-5-17-18(13)2/h3-6,10-11,14H,7-9H2,1-2H3,(H,16,20)
InChIKeyYIAVWOFKYGPYSQ-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.15
Rot. Bonds3

About 2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-6-thiophen-3-ylmorpholine-4-carboxamide

2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-6-thiophen-3-ylmorpholine-4-carboxamide (PubChem CID 75380170) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-6-thiophen-3-ylmorpholine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-6-thiophen-3-ylmorpholine-4-carboxamide
PubChem CID75380170
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-6-thiophen-3-ylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)NCc2ccnn2C)CC(c2ccsc2)O1
InChIInChI=1S/C15H20N4O2S/c1-11-8-19(9-14(21-11)12-4-6-22-10-12)15(20)16-7-13-3-5-17-18(13)2/h3-6,10-11,14H,7-9H2,1-2H3,(H,16,20)
InChIKeyYIAVWOFKYGPYSQ-UHFFFAOYSA-N
XLogP2.15
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-6-thiophen-3-ylmorpholine-4-carboxamide?
The IUPAC name of 2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-6-thiophen-3-ylmorpholine-4-carboxamide (CID 75380170) is 2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-6-thiophen-3-ylmorpholine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-6-thiophen-3-ylmorpholine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-6-thiophen-3-ylmorpholine-4-carboxamide is CC1CN(C(=O)NCc2ccnn2C)CC(c2ccsc2)O1.
What is the InChIKey of 2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-6-thiophen-3-ylmorpholine-4-carboxamide?
The InChIKey is YIAVWOFKYGPYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-11-8-19(9-14(21-11)12-4-6-22-10-12)15(20)16-7-13-3-5-17-18(13)2/h3-6,10-11,14H,7-9H2,1-2H3,(H,16,20).
What are the key properties of 2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-6-thiophen-3-ylmorpholine-4-carboxamide?
2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-6-thiophen-3-ylmorpholine-4-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-6-thiophen-3-ylmorpholine-4-carboxamide is sourced from PubChem (CID 75380170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).