N-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine

C20H23N3S — CID 16677888

IUPACN-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESC=Cn1cc(CN(CCc2ccccc2)Cc2cccs2)c(C)n1
InChIInChI=1S/C20H23N3S/c1-3-23-15-19(17(2)21-23)14-22(16-20-10-7-13-24-20)12-11-18-8-5-4-6-9-18/h3-10,13,15H,1,11-12,14,16H2,2H3
InChIKeyIOUCARMIDMEMCP-UHFFFAOYSA-N
MW337.49 g/mol
LogP4.60
Rot. Bonds8

About N-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine

N-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 16677888) has the molecular formula C20H23N3S and a molecular weight of 337.49 g/mol. Its IUPAC name is N-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID16677888
Molecular FormulaC20H23N3S
Molecular Weight337.49 g/mol
Exact Mass337.16
IUPAC NameN-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESC=Cn1cc(CN(CCc2ccccc2)Cc2cccs2)c(C)n1
InChIInChI=1S/C20H23N3S/c1-3-23-15-19(17(2)21-23)14-22(16-20-10-7-13-24-20)12-11-18-8-5-4-6-9-18/h3-10,13,15H,1,11-12,14,16H2,2H3
InChIKeyIOUCARMIDMEMCP-UHFFFAOYSA-N
XLogP4.60
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of N-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine (CID 16677888) is N-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for N-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine is C=Cn1cc(CN(CCc2ccccc2)Cc2cccs2)c(C)n1.
What is the InChIKey of N-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is IOUCARMIDMEMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3S/c1-3-23-15-19(17(2)21-23)14-22(16-20-10-7-13-24-20)12-11-18-8-5-4-6-9-18/h3-10,13,15H,1,11-12,14,16H2,2H3.
What are the key properties of N-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine?
N-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 337.49 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 16677888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).