N-methyl-1-(oxan-4-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]methanamine

C15H21N3OS — CID 77094196

IUPACN-methyl-1-(oxan-4-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]methanamine
SMILESCN(Cc1ccc(-c2ccn[nH]2)s1)CC1CCOCC1
InChIInChI=1S/C15H21N3OS/c1-18(10-12-5-8-19-9-6-12)11-13-2-3-15(20-13)14-4-7-16-17-14/h2-4,7,12H,5-6,8-11H2,1H3,(H,16,17)
InChIKeyKPJVGNWCOXAZNE-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.00
Rot. Bonds5

About N-methyl-1-(oxan-4-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]methanamine

N-methyl-1-(oxan-4-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]methanamine (PubChem CID 77094196) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-methyl-1-(oxan-4-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(oxan-4-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]methanamine
PubChem CID77094196
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-methyl-1-(oxan-4-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]methanamine
SMILESCN(Cc1ccc(-c2ccn[nH]2)s1)CC1CCOCC1
InChIInChI=1S/C15H21N3OS/c1-18(10-12-5-8-19-9-6-12)11-13-2-3-15(20-13)14-4-7-16-17-14/h2-4,7,12H,5-6,8-11H2,1H3,(H,16,17)
InChIKeyKPJVGNWCOXAZNE-UHFFFAOYSA-N
XLogP3.00
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxan-4-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]methanamine?
The IUPAC name of N-methyl-1-(oxan-4-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]methanamine (CID 77094196) is N-methyl-1-(oxan-4-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]methanamine.
What is the SMILES notation for N-methyl-1-(oxan-4-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]methanamine?
The canonical SMILES for N-methyl-1-(oxan-4-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]methanamine is CN(Cc1ccc(-c2ccn[nH]2)s1)CC1CCOCC1.
What is the InChIKey of N-methyl-1-(oxan-4-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]methanamine?
The InChIKey is KPJVGNWCOXAZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-18(10-12-5-8-19-9-6-12)11-13-2-3-15(20-13)14-4-7-16-17-14/h2-4,7,12H,5-6,8-11H2,1H3,(H,16,17).
What are the key properties of N-methyl-1-(oxan-4-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]methanamine?
N-methyl-1-(oxan-4-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]methanamine has a molecular weight of 291.42 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxan-4-yl)-N-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]methanamine is sourced from PubChem (CID 77094196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).