(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine

C20H23N3S — CID 25384796

IUPAC(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine
SMILESCSc1ccc(CN[C@H](C)c2cnn(-c3ccccc3)c2C)cc1
InChIInChI=1S/C20H23N3S/c1-15(21-13-17-9-11-19(24-3)12-10-17)20-14-22-23(16(20)2)18-7-5-4-6-8-18/h4-12,14-15,21H,13H2,1-3H3/t15-/m1/s1
InChIKeyWMZBWIORRJQFOR-OAHLLOKOSA-N
MW337.49 g/mol
LogP4.75
Rot. Bonds6

About (1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine

(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine (PubChem CID 25384796) has the molecular formula C20H23N3S and a molecular weight of 337.49 g/mol. Its IUPAC name is (1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine
PubChem CID25384796
Molecular FormulaC20H23N3S
Molecular Weight337.49 g/mol
Exact Mass337.16
IUPAC Name(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine
SMILESCSc1ccc(CN[C@H](C)c2cnn(-c3ccccc3)c2C)cc1
InChIInChI=1S/C20H23N3S/c1-15(21-13-17-9-11-19(24-3)12-10-17)20-14-22-23(16(20)2)18-7-5-4-6-8-18/h4-12,14-15,21H,13H2,1-3H3/t15-/m1/s1
InChIKeyWMZBWIORRJQFOR-OAHLLOKOSA-N
XLogP4.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-pyrimidin-2-yloxyphenyl)methyl]ethanamine
CID 42460983
(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-4-ylmethyl)ethanamine
CID 94962216
(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]ethanamine
CID 42592797
(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 25364114
(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
CID 94823192
N-[[4-(difluoromethoxy)phenyl]methyl]-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 45219984
(1S)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
CID 42241816
N-[(3-cyclopentyloxyphenyl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
CID 45215958
1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine
CID 45214362
(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine
CID 94962214
(1R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
CID 51902743
N-[(4-fluoro-3-methoxyphenyl)methyl]-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 45231274

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine (CID 25384796) is (1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine is CSc1ccc(CN[C@H](C)c2cnn(-c3ccccc3)c2C)cc1.
What is the InChIKey of (1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine?
The InChIKey is WMZBWIORRJQFOR-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23N3S/c1-15(21-13-17-9-11-19(24-3)12-10-17)20-14-22-23(16(20)2)18-7-5-4-6-8-18/h4-12,14-15,21H,13H2,1-3H3/t15-/m1/s1.
What are the key properties of (1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine?
(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine has a molecular weight of 337.49 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine is sourced from PubChem (CID 25384796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).