N-methyl-1-(3-pyrazol-1-ylphenyl)-N-(thiophen-2-ylmethyl)methanamine

C16H17N3S — CID 50966220

IUPACN-methyl-1-(3-pyrazol-1-ylphenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCN(Cc1cccc(-n2cccn2)c1)Cc1cccs1
InChIInChI=1S/C16H17N3S/c1-18(13-16-7-3-10-20-16)12-14-5-2-6-15(11-14)19-9-4-8-17-19/h2-11H,12-13H2,1H3
InChIKeyWMXOWPAFJCDFSS-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.57
Rot. Bonds5

About N-methyl-1-(3-pyrazol-1-ylphenyl)-N-(thiophen-2-ylmethyl)methanamine

N-methyl-1-(3-pyrazol-1-ylphenyl)-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 50966220) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-methyl-1-(3-pyrazol-1-ylphenyl)-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-pyrazol-1-ylphenyl)-N-(thiophen-2-ylmethyl)methanamine
PubChem CID50966220
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN-methyl-1-(3-pyrazol-1-ylphenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCN(Cc1cccc(-n2cccn2)c1)Cc1cccs1
InChIInChI=1S/C16H17N3S/c1-18(13-16-7-3-10-20-16)12-14-5-2-6-15(11-14)19-9-4-8-17-19/h2-11H,12-13H2,1H3
InChIKeyWMXOWPAFJCDFSS-UHFFFAOYSA-N
XLogP3.57
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-pyrazol-1-ylphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-(3-pyrazol-1-ylphenyl)-N-(thiophen-2-ylmethyl)methanamine (CID 50966220) is N-methyl-1-(3-pyrazol-1-ylphenyl)-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-(3-pyrazol-1-ylphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-(3-pyrazol-1-ylphenyl)-N-(thiophen-2-ylmethyl)methanamine is CN(Cc1cccc(-n2cccn2)c1)Cc1cccs1.
What is the InChIKey of N-methyl-1-(3-pyrazol-1-ylphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is WMXOWPAFJCDFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-18(13-16-7-3-10-20-16)12-14-5-2-6-15(11-14)19-9-4-8-17-19/h2-11H,12-13H2,1H3.
What are the key properties of N-methyl-1-(3-pyrazol-1-ylphenyl)-N-(thiophen-2-ylmethyl)methanamine?
N-methyl-1-(3-pyrazol-1-ylphenyl)-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 283.40 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-pyrazol-1-ylphenyl)-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 50966220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).