4-ethyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]aniline

C22H21N3S — CID 6623204

IUPAC4-ethyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]aniline
SMILESCCc1ccc(NCc2cn(-c3ccccc3)nc2-c2cccs2)cc1
InChIInChI=1S/C22H21N3S/c1-2-17-10-12-19(13-11-17)23-15-18-16-25(20-7-4-3-5-8-20)24-22(18)21-9-6-14-26-21/h3-14,16,23H,2,15H2,1H3
InChIKeyNFUCYHOVNOKRTA-UHFFFAOYSA-N
MW359.50 g/mol
LogP5.78
Rot. Bonds6

About 4-ethyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]aniline

4-ethyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]aniline (PubChem CID 6623204) has the molecular formula C22H21N3S and a molecular weight of 359.50 g/mol. Its IUPAC name is 4-ethyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-ethyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]aniline
PubChem CID6623204
Molecular FormulaC22H21N3S
Molecular Weight359.50 g/mol
Exact Mass359.15
IUPAC Name4-ethyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]aniline
SMILESCCc1ccc(NCc2cn(-c3ccccc3)nc2-c2cccs2)cc1
InChIInChI=1S/C22H21N3S/c1-2-17-10-12-19(13-11-17)23-15-18-16-25(20-7-4-3-5-8-20)24-22(18)21-9-6-14-26-21/h3-14,16,23H,2,15H2,1H3
InChIKeyNFUCYHOVNOKRTA-UHFFFAOYSA-N
XLogP5.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.50
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]urea
CID 6904022
4-{[(1,3-diphenyl-1H-pyrazol-4-yl)methylene]amino}-5-(2-thienyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
CID 9583952
CID 2998304
CID 2998304
4-({[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}amino)-5-(2-thienyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
CID 9583953
4-[(2E)-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]hydrazinyl]benzenesulfonamide
CID 9670310
N-{[1-(2,4-difluorophenyl)-3-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-(methylthio)ethanamine
CID 16188988
N-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2-pyrazin-2-ylethanamine
CID 16190616
N-{[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-1-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16192289
nitric acid;2-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]guanidine
CID 16239028
(E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
CID 24981883
2-(4-methylpiperazin-1-yl)-N-[[1-(4-methylsulfanylphenyl)-3-(o-tolyl)pyrazol-4-yl]methyl]ethanamine
CID 72547038
5-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 16191379

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]aniline?
The IUPAC name of 4-ethyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]aniline (CID 6623204) is 4-ethyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 4-ethyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for 4-ethyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]aniline is CCc1ccc(NCc2cn(-c3ccccc3)nc2-c2cccs2)cc1.
What is the InChIKey of 4-ethyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]aniline?
The InChIKey is NFUCYHOVNOKRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3S/c1-2-17-10-12-19(13-11-17)23-15-18-16-25(20-7-4-3-5-8-20)24-22(18)21-9-6-14-26-21/h3-14,16,23H,2,15H2,1H3.
What are the key properties of 4-ethyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]aniline?
4-ethyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]aniline has a molecular weight of 359.50 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 6623204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).