1-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]methanamine

C17H26N4OS — CID 56717669

IUPAC1-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]methanamine
SMILESCc1ccsc1CN(C)Cc1c(C)nn(C)c1N1CCOCC1
InChIInChI=1S/C17H26N4OS/c1-13-5-10-23-16(13)12-19(3)11-15-14(2)18-20(4)17(15)21-6-8-22-9-7-21/h5,10H,6-9,11-12H2,1-4H3
InChIKeySVTIXQBUVUJPJC-UHFFFAOYSA-N
MW334.49 g/mol
LogP2.57
Rot. Bonds5

About 1-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]methanamine

1-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]methanamine (PubChem CID 56717669) has the molecular formula C17H26N4OS and a molecular weight of 334.49 g/mol. Its IUPAC name is 1-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]methanamine
PubChem CID56717669
Molecular FormulaC17H26N4OS
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC Name1-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]methanamine
SMILESCc1ccsc1CN(C)Cc1c(C)nn(C)c1N1CCOCC1
InChIInChI=1S/C17H26N4OS/c1-13-5-10-23-16(13)12-19(3)11-15-14(2)18-20(4)17(15)21-6-8-22-9-7-21/h5,10H,6-9,11-12H2,1-4H3
InChIKeySVTIXQBUVUJPJC-UHFFFAOYSA-N
XLogP2.57
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]methanamine?
The IUPAC name of 1-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]methanamine (CID 56717669) is 1-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]methanamine?
The canonical SMILES for 1-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]methanamine is Cc1ccsc1CN(C)Cc1c(C)nn(C)c1N1CCOCC1.
What is the InChIKey of 1-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]methanamine?
The InChIKey is SVTIXQBUVUJPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4OS/c1-13-5-10-23-16(13)12-19(3)11-15-14(2)18-20(4)17(15)21-6-8-22-9-7-21/h5,10H,6-9,11-12H2,1-4H3.
What are the key properties of 1-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]methanamine?
1-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]methanamine has a molecular weight of 334.49 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 56717669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).