N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-methylphenyl)-1-thiophen-2-ylmethanamine

C19H23N3OS — CID 51104784

IUPACN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-methylphenyl)-1-thiophen-2-ylmethanamine
SMILESCOc1c(CNC(c2ccc(C)cc2)c2cccs2)c(C)nn1C
InChIInChI=1S/C19H23N3OS/c1-13-7-9-15(10-8-13)18(17-6-5-11-24-17)20-12-16-14(2)21-22(3)19(16)23-4/h5-11,18,20H,12H2,1-4H3
InChIKeySAEJJQKMXWHELQ-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.99
Rot. Bonds6

About N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-methylphenyl)-1-thiophen-2-ylmethanamine

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-methylphenyl)-1-thiophen-2-ylmethanamine (PubChem CID 51104784) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-methylphenyl)-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-methylphenyl)-1-thiophen-2-ylmethanamine
PubChem CID51104784
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-methylphenyl)-1-thiophen-2-ylmethanamine
SMILESCOc1c(CNC(c2ccc(C)cc2)c2cccs2)c(C)nn1C
InChIInChI=1S/C19H23N3OS/c1-13-7-9-15(10-8-13)18(17-6-5-11-24-17)20-12-16-14(2)21-22(3)19(16)23-4/h5-11,18,20H,12H2,1-4H3
InChIKeySAEJJQKMXWHELQ-UHFFFAOYSA-N
XLogP3.99
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8869335
(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 104860868
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 75484362
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 115600765
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 115627595
N-[(4-methylphenyl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 43224410
(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 104860852
(1R)-1-(4-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropan-1-amine
CID 94815102
(1R)-1-(furan-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 104860866
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
CID 86790689
(1R)-1-(2-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 104860855
(2R)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8869717

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-methylphenyl)-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-methylphenyl)-1-thiophen-2-ylmethanamine (CID 51104784) is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-methylphenyl)-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-methylphenyl)-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-methylphenyl)-1-thiophen-2-ylmethanamine is COc1c(CNC(c2ccc(C)cc2)c2cccs2)c(C)nn1C.
What is the InChIKey of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-methylphenyl)-1-thiophen-2-ylmethanamine?
The InChIKey is SAEJJQKMXWHELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-13-7-9-15(10-8-13)18(17-6-5-11-24-17)20-12-16-14(2)21-22(3)19(16)23-4/h5-11,18,20H,12H2,1-4H3.
What are the key properties of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-methylphenyl)-1-thiophen-2-ylmethanamine?
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-methylphenyl)-1-thiophen-2-ylmethanamine has a molecular weight of 341.48 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-methylphenyl)-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 51104784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).